4-chloro-N-(2-cyano-5-methylphenyl)-2,5-dimethylbenzenesulfonamide

C16H15ClN2O2S — CID 3667080

IUPAC4-chloro-N-(2-cyano-5-methylphenyl)-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C#N)c(NS(=O)(=O)c2cc(C)c(Cl)cc2C)c1
InChIInChI=1S/C16H15ClN2O2S/c1-10-4-5-13(9-18)15(6-10)19-22(20,21)16-8-11(2)14(17)7-12(16)3/h4-8,19H,1-3H3
InChIKeyZLACXEUHVTUZEC-UHFFFAOYSA-N
MW334.83 g/mol
LogP3.94
Rot. Bonds3

About 4-chloro-N-(2-cyano-5-methylphenyl)-2,5-dimethylbenzenesulfonamide

4-chloro-N-(2-cyano-5-methylphenyl)-2,5-dimethylbenzenesulfonamide (PubChem CID 3667080) has the molecular formula C16H15ClN2O2S and a molecular weight of 334.83 g/mol. Its IUPAC name is 4-chloro-N-(2-cyano-5-methylphenyl)-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2-cyano-5-methylphenyl)-2,5-dimethylbenzenesulfonamide
PubChem CID3667080
Molecular FormulaC16H15ClN2O2S
Molecular Weight334.83 g/mol
Exact Mass334.05
IUPAC Name4-chloro-N-(2-cyano-5-methylphenyl)-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C#N)c(NS(=O)(=O)c2cc(C)c(Cl)cc2C)c1
InChIInChI=1S/C16H15ClN2O2S/c1-10-4-5-13(9-18)15(6-10)19-22(20,21)16-8-11(2)14(17)7-12(16)3/h4-8,19H,1-3H3
InChIKeyZLACXEUHVTUZEC-UHFFFAOYSA-N
XLogP3.94
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.83
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyano-5-methylphenyl)methanesulfonamide
CID 67099534
N-(2-cyano-5-methylphenyl)-2-(trifluoromethyl)benzenesulfonamide
CID 125467584
2-(2-bromo-5-chloro-4-methylanilino)-4-methylbenzonitrile
CID 104723789
4-bromo-N-(5-bromo-2-cyanophenyl)-2-chlorobenzenesulfonamide
CID 107798445
3-chloro-N-(2-chloro-4-methylphenyl)-4-cyanobenzenesulfonamide
CID 115588624
4-chloro-N-(2-ethylphenyl)-2,5-dimethylbenzenesulfonamide
CID 22773817
4-chloro-2,5-dimethyl-N-(2-phenylphenyl)benzenesulfonamide
CID 19684190
4-chloro-2,5-dimethyl-N-(4-nitrophenyl)benzenesulfonamide
CID 22774128
4-chloro-N-(4-methoxy-2-methylphenyl)-2,5-dimethylbenzenesulfonamide
CID 22202576
4-bromo-N-(2,5-dimethylphenyl)-2,5-dimethylbenzenesulfonamide
CID 146095930
4-chloro-N-(2,4-dimethoxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 3783398
N-(2-bromo-5-methylphenyl)-4-cyano-2-methylbenzenesulfonamide
CID 103866062

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-cyano-5-methylphenyl)-2,5-dimethylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-(2-cyano-5-methylphenyl)-2,5-dimethylbenzenesulfonamide (CID 3667080) is 4-chloro-N-(2-cyano-5-methylphenyl)-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(2-cyano-5-methylphenyl)-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-(2-cyano-5-methylphenyl)-2,5-dimethylbenzenesulfonamide is Cc1ccc(C#N)c(NS(=O)(=O)c2cc(C)c(Cl)cc2C)c1.
What is the InChIKey of 4-chloro-N-(2-cyano-5-methylphenyl)-2,5-dimethylbenzenesulfonamide?
The InChIKey is ZLACXEUHVTUZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2S/c1-10-4-5-13(9-18)15(6-10)19-22(20,21)16-8-11(2)14(17)7-12(16)3/h4-8,19H,1-3H3.
What are the key properties of 4-chloro-N-(2-cyano-5-methylphenyl)-2,5-dimethylbenzenesulfonamide?
4-chloro-N-(2-cyano-5-methylphenyl)-2,5-dimethylbenzenesulfonamide has a molecular weight of 334.83 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-cyano-5-methylphenyl)-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 3667080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).