Chlorpropamide

C₁₀H₁₃ClN₂O₃SCAS 94-20-2276.74 g/mol

Open in Covalent MOL file

Aryl halide Sulfonamide Urea

Properties

Molecular formula: C₁₀H₁₃ClN₂O₃S
Molar mass: 276.74 g/mol
Exact mass: 276.0335 Da
Melting point: 127–129 °C
Water solubility: 2.2 g/L
logP: 1.74Crippen estimate
Polar surface area: 75.3 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 4

Hazards

Warning

H312+H332 Harmful in contact with skin or if inhaled40.6% of notifiers
H312 Harmful in contact with skin98.6% of notifiers
H332 Harmful if inhaled98.6% of notifiers
H351 Suspected of causing cancer97.1% of notifiers

Aggregated from 69 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P271, P280, P302+P352, P304+P340, P317, P318, P321, P362+P364, P405, P501

Identifiers

CAS number

94-20-2

SMILES

CCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)Cl

InChIKey

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)

Characterization data

Calculated from the structure, in the form journals print them.

¹H NMR

Predicted ¹H NMR (400 MHz, CDCl₃) δ 7.93 (d, J = 7.7 Hz, 2H), 7.60 (d, J = 7.7 Hz, 2H), 5.00 (br t, J = 5.0 Hz, 1H), 5.00 (br s, 1H), 3.28 (td, J = 7.0, 5.0 Hz, 2H), 1.55 (sext, J = 7.0 Hz, 2H), 0.86 (t, J = 7.0 Hz, 3H).

¹³C NMR

Predicted ¹³C NMR (101 MHz, CDCl₃) δ 158.6, 139.9, 138.7, 129.4, 128.0, 44.5, 27.2, 11.1.

[M + H]+

[M + H]+ Calcd for C10H14ClN2O3S 277.0408

[M + Na]+

[M + Na]+ Calcd for C10H13ClN2NaO3S 299.0228

[M − H]−

[M − H]− Calcd for C10H12ClN2O3S 275.0263

Elemental analysis

Anal. Calcd for C10H13ClN2O3S: C, 43.40; H, 4.74; N, 10.12; S, 11.59.

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

39 names · show all

Benzenesulfonamide, 4-chloro-N-[(propylamino)carbonyl]-
Urea, 1-[(p-chlorophenyl)sulfonyl]-3-propyl-
4-Chloro-N-[(propylamino)carbonyl]benzenesulfonamide
P 607
Catanil
N-(p-Chlorobenzenesulfonyl)-N′-propylurea
1-(p-Chlorobenzenesulfonyl)-3-propylurea
1-(p-Chlorophenylsulfonyl)-3-propylurea
Chloropropamide
Diabenese
Diabinese
N-Propyl-N′-(p-chlorobenzenesulfonyl)urea
1-Propyl-3-(p-chlorobenzenesulfonyl)urea
N-Propyl-N′-p-chlorphenylsulfonylcarbamide
N-(4-Chlorophenylsulfonyl)-N′-propylurea
Chlorpropamid
Diabeneza
Diabaril
U 9818
Glisema
Chloronase
Meldian
Chlorodiabina
Diabetoral
Diabet-pages
Diabenal
Melitase
Adiaben
Diabechlor
Millinese
Asucrol
Stabinol
NSC 44634
NSC 626720
Pamidin
1-(4-Chlorophenyl)sulfonyl-3-propyl-urea
1-(4-Chlorophenyl)sulfonyl-3-propylurea
1-(4-Chloro-benzenesulfonyl)-3-n-propyl-urea
4-Chloro-N-(propylcarbamoyl)benzenesulfonamide

Work with Chlorpropamide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Tolbutamide64-77-762 % similar Daltroban79094-20-542 % similar Glibenclamide10238-21-841 % similar Tolazamide1156-19-040 % similar 1-[(4-Chlorophenyl)sulfonyl]-2-propanone5000-48-638 % similar Acetohexamide968-81-038 % similar 1-(4-Chlorophenyl)-1-butanone4981-63-938 % similar N-Butyl-4-methylbenzenesulfonamide1907-65-938 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook