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Molecule
Chlorpropamid
CAS: 94-20-2 · C10H13ClN2O3S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 94-20-2
- Molecular Formula
- C10H13ClN2O3S
- Molecular Mass
- 276.75 g/mol
Identifiers
CAS Registry Number
94-20-2
SMILES
CCCN=C(O)NS(=O)(=O)c1ccc(Cl)cc1
InChI Key
RKWGIWYCVPQPMF-UHFFFAOYSA-N
InChI
InChI=1S/C10H13ClN2O3S/c1-2-7-12-10(14)13-17(15,16)9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3,(H2,12,13,14)
Names and Synonyms
- Chlorpropamid Synonym
- Diabeneza Synonym
- Diabaril Synonym
- U 9818 Synonym
- Glisema Synonym
- Chloronase Synonym
- Meldian Synonym
- Chlorodiabina Synonym
- Diabetoral Synonym
- Diabet-Pages Synonym
- Diabenal Synonym
- Melitase Synonym
- Adiaben Synonym
- Diabechlor Synonym
- Millinese Synonym
- Asucrol Synonym
- Stabinol Synonym
- NSC 44634 Synonym
- NSC 626720 Synonym
- Pamidin Synonym
- 1-(4-Chlorophenyl)sulfonyl-3-propyl-urea Synonym
- 1-(4-Chlorophenyl)sulfonyl-3-propylurea Synonym
- 1-(4-Chloro-benzenesulfonyl)-3-n-propyl-urea Synonym
- 4-Chloro-N-(propylcarbamoyl)benzenesulfonamide Synonym
- Chlorpropamide Synonym
- Benzenesulfonamide, 4-chloro-N-[(propylamino)carbonyl]- Synonym
- Urea, 1-[(p-chlorophenyl)sulfonyl]-3-propyl- Synonym
- 4-Chloro-N-[(propylamino)carbonyl]benzenesulfonamide Synonym
- P 607 Synonym
- Catanil Synonym
- N-(p-Chlorobenzenesulfonyl)-N′-propylurea Synonym
- 1-(p-Chlorobenzenesulfonyl)-3-propylurea Synonym
- 1-(p-Chlorophenylsulfonyl)-3-propylurea Synonym
- Chloropropamide Synonym
- Chlorpropamide Synonym
- Diabenese Synonym
- Diabinese Synonym
- N-Propyl-N′-(p-chlorobenzenesulfonyl)urea Synonym
- 1-Propyl-3-(p-chlorobenzenesulfonyl)urea Synonym
- N-Propyl-N′-p-chlorphenylsulfonylcarbamide Synonym
- N-(4-Chlorophenylsulfonyl)-N′-propylurea Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 276.75 g/mol | CAS Common Chemistry |
| 276.74499999999995 g/mol | RDKit | |
| 276.745 g/mol | RDKit | |
| 276.735 g/mol | chempirical lib | |
| Canonical SMILES | O=C(NCCC)NS(=O)(=O)C1=CC=C(Cl)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C10H13ClN2O3S/c1-2-7-12-10(14)13-17(15,16)9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3,(H2,12,13,14) | CAS Common Chemistry |
| InChI Key | InChIKey=RKWGIWYCVPQPMF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 127-129 °C | CAS Common Chemistry |
| Name | Chlorpropamide | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 78.76 Ų | RDKit |
| LogP | 1.9423000000000001 | RDKit |
| 1.9423 | RDKit | |
| 2.11 | chempirical lib | |
| Molar Refractivity | 66.99530000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3 | RDKit |
| Exact Mass | 276.033540956 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 276.75 g/mol. Edit any field — others recompute live.
