2-chloro-4-cyano-N-(2-methylphenyl)benzenesulfonamide

C14H11ClN2O2S — CID 103988459

IUPAC2-chloro-4-cyano-N-(2-methylphenyl)benzenesulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(C#N)cc1Cl
InChIInChI=1S/C14H11ClN2O2S/c1-10-4-2-3-5-13(10)17-20(18,19)14-7-6-11(9-16)8-12(14)15/h2-8,17H,1H3
InChIKeySAZDFJHYLUBFTG-UHFFFAOYSA-N
MW306.77 g/mol
LogP3.32
Rot. Bonds3

About 2-chloro-4-cyano-N-(2-methylphenyl)benzenesulfonamide

2-chloro-4-cyano-N-(2-methylphenyl)benzenesulfonamide (PubChem CID 103988459) has the molecular formula C14H11ClN2O2S and a molecular weight of 306.77 g/mol. Its IUPAC name is 2-chloro-4-cyano-N-(2-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-cyano-N-(2-methylphenyl)benzenesulfonamide
PubChem CID103988459
Molecular FormulaC14H11ClN2O2S
Molecular Weight306.77 g/mol
Exact Mass306.02
IUPAC Name2-chloro-4-cyano-N-(2-methylphenyl)benzenesulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(C#N)cc1Cl
InChIInChI=1S/C14H11ClN2O2S/c1-10-4-2-3-5-13(10)17-20(18,19)14-7-6-11(9-16)8-12(14)15/h2-8,17H,1H3
InChIKeySAZDFJHYLUBFTG-UHFFFAOYSA-N
XLogP3.32
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-cyano-N-(2-ethylphenyl)benzenesulfonamide
CID 103988511
2-chloro-4-cyano-N-(3,4-dimethylphenyl)benzenesulfonamide
CID 103988464
2-chloro-N-(3-chloro-2-methyl-4-pyridinyl)-4-cyanobenzenesulfonamide
CID 75523599
N-(2-bromo-3-chlorophenyl)-4-cyano-2-methylbenzenesulfonamide
CID 103522055
4-amino-N-(2-chloro-4-cyanophenyl)-2-methylbenzenesulfonamide
CID 107806959
N-[4-cyano-2-[(2-methylphenyl)sulfonylamino]phenyl]-2-methylbenzenesulfonamide
CID 118497699
N-(2-aminophenyl)-4-cyano-2-methylbenzenesulfonamide
CID 106996452
2-chloro-4-cyano-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 103988582
4-amino-2-cyano-N-(2-methylphenyl)benzenesulfonamide
CID 43256224
5-bromo-N-(2-chloro-4-cyanophenyl)-2-methylbenzenesulfonamide
CID 103791841
N-(2-chloro-4-cyanophenyl)-3,4-dimethylbenzenesulfonamide
CID 103791853
2-chloro-4-cyano-N-(5-fluoro-2-hydroxyphenyl)benzenesulfonamide
CID 103988599

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-cyano-N-(2-methylphenyl)benzenesulfonamide?
The IUPAC name of 2-chloro-4-cyano-N-(2-methylphenyl)benzenesulfonamide (CID 103988459) is 2-chloro-4-cyano-N-(2-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-4-cyano-N-(2-methylphenyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-4-cyano-N-(2-methylphenyl)benzenesulfonamide is Cc1ccccc1NS(=O)(=O)c1ccc(C#N)cc1Cl.
What is the InChIKey of 2-chloro-4-cyano-N-(2-methylphenyl)benzenesulfonamide?
The InChIKey is SAZDFJHYLUBFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O2S/c1-10-4-2-3-5-13(10)17-20(18,19)14-7-6-11(9-16)8-12(14)15/h2-8,17H,1H3.
What are the key properties of 2-chloro-4-cyano-N-(2-methylphenyl)benzenesulfonamide?
2-chloro-4-cyano-N-(2-methylphenyl)benzenesulfonamide has a molecular weight of 306.77 g/mol, XLogP of 3.32, 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-(2-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 103988459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).