3-chloro-4-cyanobenzenesulfonamide

C7H5ClN2O2S — CID 43164305

IUPAC3-chloro-4-cyanobenzenesulfonamide
SMILESN#Cc1ccc(S(N)(=O)=O)cc1Cl
InChIInChI=1S/C7H5ClN2O2S/c8-7-3-6(13(10,11)12)2-1-5(7)4-9/h1-3H,(H2,10,11,12)
InChIKeyYHHGTFVINDCIIQ-UHFFFAOYSA-N
MW216.65 g/mol
LogP0.86
Rot. Bonds1

About 3-chloro-4-cyanobenzenesulfonamide

3-chloro-4-cyanobenzenesulfonamide (PubChem CID 43164305) has the molecular formula C7H5ClN2O2S and a molecular weight of 216.65 g/mol. Its IUPAC name is 3-chloro-4-cyanobenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-cyanobenzenesulfonamide
PubChem CID43164305
Molecular FormulaC7H5ClN2O2S
Molecular Weight216.65 g/mol
Exact Mass215.98
IUPAC Name3-chloro-4-cyanobenzenesulfonamide
SMILESN#Cc1ccc(S(N)(=O)=O)cc1Cl
InChIInChI=1S/C7H5ClN2O2S/c8-7-3-6(13(10,11)12)2-1-5(7)4-9/h1-3H,(H2,10,11,12)
InChIKeyYHHGTFVINDCIIQ-UHFFFAOYSA-N
XLogP0.86
TPSA83.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.65
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-chloro-4-cyanobenzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-cyanobenzenesulfonamide?
The IUPAC name of 3-chloro-4-cyanobenzenesulfonamide (CID 43164305) is 3-chloro-4-cyanobenzenesulfonamide.
What is the SMILES notation for 3-chloro-4-cyanobenzenesulfonamide?
The canonical SMILES for 3-chloro-4-cyanobenzenesulfonamide is N#Cc1ccc(S(N)(=O)=O)cc1Cl.
What is the InChIKey of 3-chloro-4-cyanobenzenesulfonamide?
The InChIKey is YHHGTFVINDCIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2O2S/c8-7-3-6(13(10,11)12)2-1-5(7)4-9/h1-3H,(H2,10,11,12).
What are the key properties of 3-chloro-4-cyanobenzenesulfonamide?
3-chloro-4-cyanobenzenesulfonamide has a molecular weight of 216.65 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-cyanobenzenesulfonamide is sourced from PubChem (CID 43164305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).