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Molecule
Benzenemethanesulfonamide, 4-Hydrazinyl-N-Methyl-, Hydrochloride (1:1)
CAS: 88933-16-8 · C8H14ClN3O2S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 88933-16-8
- Molecular Formula
- C8H14ClN3O2S
- Molecular Mass
- 251.74 g/mol
Identifiers
CAS Registry Number
88933-16-8
SMILES
CNS(=O)(=O)Cc1ccc(NN)cc1.Cl
InChI Key
WZZPGBAXFSIKJJ-UHFFFAOYSA-N
InChI
InChI=1S/C8H13N3O2S.ClH/c1-10-14(12,13)6-7-2-4-8(11-9)5-3-7;/h2-5,10-11H,6,9H2,1H3;1H
Names and Synonyms
- Benzenemethanesulfonamide, 4-Hydrazinyl-N-Methyl-, Hydrochloride (1:1) Systematic Name
- Benzenemethanesulfonamide, 4-hydrazinyl-N-methyl-, hydrochloride (1:1) Synonym
- Benzenemethanesulfonamide, 4-hydrazino-N-methyl-, monohydrochloride Synonym
- 4-Hydrazino-N-methylbenzenemethanesulfonamide hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 251.74 g/mol | CAS Common Chemistry |
| 251.73900000000003 g/mol | RDKit | |
| 251.739 g/mol | RDKit | |
| 251.729 g/mol | chempirical lib | |
| Canonical SMILES | Cl.O=S(=O)(NC)CC1=CC=C(C=C1)NN | CAS Common Chemistry |
| InChI | InChI=1S/C8H13N3O2S.ClH/c1-10-14(12,13)6-7-2-4-8(11-9)5-3-7;/h2-5,10-11H,6,9H2,1H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=WZZPGBAXFSIKJJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Benzenemethanesulfonamide, 4-hydrazinyl-N-methyl-, hydrochloride (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 84.22 Ų | RDKit |
| LogP | 0.44319999999999965 | RDKit |
| 0.4432 | RDKit | |
| Molar Refractivity | 63.18360000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 251.049525368 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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 = 251.74 g/mol. Edit any field — others recompute live.
