3-chloro-N-methylbenzenesulfonamide

C7H8ClNO2S — CID 4535700

IUPAC3-chloro-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C7H8ClNO2S/c1-9-12(10,11)7-4-2-3-6(8)5-7/h2-5,9H,1H3
InChIKeyCTTNCAFVFUYMQN-UHFFFAOYSA-N
MW205.67 g/mol
LogP1.25
Rot. Bonds2

About 3-chloro-N-methylbenzenesulfonamide

3-chloro-N-methylbenzenesulfonamide (PubChem CID 4535700) has the molecular formula C7H8ClNO2S and a molecular weight of 205.67 g/mol. Its IUPAC name is 3-chloro-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-methylbenzenesulfonamide
PubChem CID4535700
Molecular FormulaC7H8ClNO2S
Molecular Weight205.67 g/mol
Exact Mass205.00
IUPAC Name3-chloro-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C7H8ClNO2S/c1-9-12(10,11)7-4-2-3-6(8)5-7/h2-5,9H,1H3
InChIKeyCTTNCAFVFUYMQN-UHFFFAOYSA-N
XLogP1.25
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.67
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-chloro-N-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Chlorobenzenesulfonamide
CID 66824
2-Chlorobenzenesulfonamide
CID 81410
3-Chlorobenzenesulfonamide
CID 519377
3,5-Dichlorobenzenesulfonamide
CID 705607
N-Methylbenzenesulfonamide
CID 78858
4-Chloro-N-methylbenzenesulfonamide
CID 232992
Benzenesulfonamide, 4-chloro-N,N-dimethyl-
CID 81967
4-chloro-N-hydroxybenzene-1-sulfonamide
CID 352863
N-Butyl-4-chlorobenzenesulfonamide
CID 101303
N-tert-butyl-2,5-dichlorobenzenesulfonamide
CID 886826
4-Chloro-N-diaminomethylene-benzenesulfonamide
CID 3487462
4-chloro-N-hydroxy-N-methylbenzenesulfonamide
CID 13755239

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-methylbenzenesulfonamide (CID 4535700) is 3-chloro-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-methylbenzenesulfonamide is CNS(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-methylbenzenesulfonamide?
The InChIKey is CTTNCAFVFUYMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO2S/c1-9-12(10,11)7-4-2-3-6(8)5-7/h2-5,9H,1H3.
What are the key properties of 3-chloro-N-methylbenzenesulfonamide?
3-chloro-N-methylbenzenesulfonamide has a molecular weight of 205.67 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methylbenzenesulfonamide is sourced from PubChem (CID 4535700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).