2-chloro-4-cyano-N-(3,4-dimethylphenyl)benzenesulfonamide

C15H13ClN2O2S — CID 103988464

IUPAC2-chloro-4-cyano-N-(3,4-dimethylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C#N)cc2Cl)cc1C
InChIInChI=1S/C15H13ClN2O2S/c1-10-3-5-13(7-11(10)2)18-21(19,20)15-6-4-12(9-17)8-14(15)16/h3-8,18H,1-2H3
InChIKeyCIGGZZFKIUWJBK-UHFFFAOYSA-N
MW320.80 g/mol
LogP3.63
Rot. Bonds3

About 2-chloro-4-cyano-N-(3,4-dimethylphenyl)benzenesulfonamide

2-chloro-4-cyano-N-(3,4-dimethylphenyl)benzenesulfonamide (PubChem CID 103988464) has the molecular formula C15H13ClN2O2S and a molecular weight of 320.80 g/mol. Its IUPAC name is 2-chloro-4-cyano-N-(3,4-dimethylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-cyano-N-(3,4-dimethylphenyl)benzenesulfonamide
PubChem CID103988464
Molecular FormulaC15H13ClN2O2S
Molecular Weight320.80 g/mol
Exact Mass320.04
IUPAC Name2-chloro-4-cyano-N-(3,4-dimethylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C#N)cc2Cl)cc1C
InChIInChI=1S/C15H13ClN2O2S/c1-10-3-5-13(7-11(10)2)18-21(19,20)15-6-4-12(9-17)8-14(15)16/h3-8,18H,1-2H3
InChIKeyCIGGZZFKIUWJBK-UHFFFAOYSA-N
XLogP3.63
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-cyano-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 103988582
2-chloro-N-(3-chloro-4-methylphenyl)-5-cyanobenzenesulfonamide
CID 80696837
2-chloro-4-cyano-N-(2-methylphenyl)benzenesulfonamide
CID 103988459
N-(3-amino-4-methylphenyl)-4-cyano-2-methylbenzenesulfonamide
CID 106996459
4-amino-2-chloro-N-(4-cyanophenyl)benzenesulfonamide
CID 28553639
N-(2-chloro-4-cyanophenyl)-3,4-dimethylbenzenesulfonamide
CID 103791853
2-chloro-N-(3-chloro-2-methyl-4-pyridinyl)-4-cyanobenzenesulfonamide
CID 75523599
N-(4-cyanophenyl)-3,4-dimethylbenzenesulfonamide
CID 26969626
2-chloro-N-(3-cyanophenyl)-4-fluorobenzenesulfonamide
CID 47154362
5-bromo-N-(2-chloro-4-cyanophenyl)-2-methylbenzenesulfonamide
CID 103791841
2-chloro-4-cyano-N-(2-ethylphenyl)benzenesulfonamide
CID 103988511
4-amino-N-(2-chloro-4-cyanophenyl)-2-methylbenzenesulfonamide
CID 107806959

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-cyano-N-(3,4-dimethylphenyl)benzenesulfonamide?
The IUPAC name of 2-chloro-4-cyano-N-(3,4-dimethylphenyl)benzenesulfonamide (CID 103988464) is 2-chloro-4-cyano-N-(3,4-dimethylphenyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-4-cyano-N-(3,4-dimethylphenyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-4-cyano-N-(3,4-dimethylphenyl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(C#N)cc2Cl)cc1C.
What is the InChIKey of 2-chloro-4-cyano-N-(3,4-dimethylphenyl)benzenesulfonamide?
The InChIKey is CIGGZZFKIUWJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2S/c1-10-3-5-13(7-11(10)2)18-21(19,20)15-6-4-12(9-17)8-14(15)16/h3-8,18H,1-2H3.
What are the key properties of 2-chloro-4-cyano-N-(3,4-dimethylphenyl)benzenesulfonamide?
2-chloro-4-cyano-N-(3,4-dimethylphenyl)benzenesulfonamide has a molecular weight of 320.80 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-cyano-N-(3,4-dimethylphenyl)benzenesulfonamide is sourced from PubChem (CID 103988464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).