3-chloro-N-(2-chloro-4-methylphenyl)-4-cyanobenzenesulfonamide

C14H10Cl2N2O2S — CID 115588624

IUPAC3-chloro-N-(2-chloro-4-methylphenyl)-4-cyanobenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)c(Cl)c1
InChIInChI=1S/C14H10Cl2N2O2S/c1-9-2-5-14(13(16)6-9)18-21(19,20)11-4-3-10(8-17)12(15)7-11/h2-7,18H,1H3
InChIKeyWKCXOUJHPOQUGQ-UHFFFAOYSA-N
MW341.22 g/mol
LogP3.97
Rot. Bonds3

About 3-chloro-N-(2-chloro-4-methylphenyl)-4-cyanobenzenesulfonamide

3-chloro-N-(2-chloro-4-methylphenyl)-4-cyanobenzenesulfonamide (PubChem CID 115588624) has the molecular formula C14H10Cl2N2O2S and a molecular weight of 341.22 g/mol. Its IUPAC name is 3-chloro-N-(2-chloro-4-methylphenyl)-4-cyanobenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(2-chloro-4-methylphenyl)-4-cyanobenzenesulfonamide
PubChem CID115588624
Molecular FormulaC14H10Cl2N2O2S
Molecular Weight341.22 g/mol
Exact Mass339.98
IUPAC Name3-chloro-N-(2-chloro-4-methylphenyl)-4-cyanobenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)c(Cl)c1
InChIInChI=1S/C14H10Cl2N2O2S/c1-9-2-5-14(13(16)6-9)18-21(19,20)11-4-3-10(8-17)12(15)7-11/h2-7,18H,1H3
InChIKeyWKCXOUJHPOQUGQ-UHFFFAOYSA-N
XLogP3.97
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.22
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(2-chlorophenyl)-4-cyanobenzenesulfonamide
CID 47309083
N-(4-bromo-2-chlorophenyl)-4-cyano-3-methylbenzenesulfonamide
CID 106831780
3-chloro-4-cyano-N-(2,6-dimethyl-3-pyridinyl)benzenesulfonamide
CID 115687718
N-(2-bromo-4-chlorophenyl)-3-chloro-4-cyanobenzenesulfonamide
CID 115701867
3-amino-4-chloro-N-(2-chloro-4-methylphenyl)benzenesulfonamide
CID 28967482
3-chloro-4-cyano-N-(2-fluorophenyl)benzenesulfonamide
CID 47309192
3-chloro-4-cyano-N-propan-2-ylbenzenesulfonamide
CID 112684851
3-chloro-4-cyano-N-(2,5-difluorophenyl)benzenesulfonamide
CID 115588628
3-chloro-N-(4-chloro-3-pyridinyl)-4-cyanobenzenesulfonamide
CID 103745721
4-amino-3-bromo-N-(2-chloro-4-methylphenyl)benzenesulfonamide
CID 62058562
3-cyano-N-(2,4-dichlorophenyl)-4-fluorobenzenesulfonamide
CID 63235815
3-chloro-4-cyano-N-(3,4-dichlorophenyl)benzenesulfonamide
CID 115588612

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-chloro-4-methylphenyl)-4-cyanobenzenesulfonamide?
The IUPAC name of 3-chloro-N-(2-chloro-4-methylphenyl)-4-cyanobenzenesulfonamide (CID 115588624) is 3-chloro-N-(2-chloro-4-methylphenyl)-4-cyanobenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(2-chloro-4-methylphenyl)-4-cyanobenzenesulfonamide?
The canonical SMILES for 3-chloro-N-(2-chloro-4-methylphenyl)-4-cyanobenzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)c(Cl)c1.
What is the InChIKey of 3-chloro-N-(2-chloro-4-methylphenyl)-4-cyanobenzenesulfonamide?
The InChIKey is WKCXOUJHPOQUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O2S/c1-9-2-5-14(13(16)6-9)18-21(19,20)11-4-3-10(8-17)12(15)7-11/h2-7,18H,1H3.
What are the key properties of 3-chloro-N-(2-chloro-4-methylphenyl)-4-cyanobenzenesulfonamide?
3-chloro-N-(2-chloro-4-methylphenyl)-4-cyanobenzenesulfonamide has a molecular weight of 341.22 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-chloro-4-methylphenyl)-4-cyanobenzenesulfonamide is sourced from PubChem (CID 115588624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).