N-(2-chloro-6-methylphenyl)-4-cyanobenzenesulfonamide

C14H11ClN2O2S — CID 66254566

IUPACN-(2-chloro-6-methylphenyl)-4-cyanobenzenesulfonamide
SMILESCc1cccc(Cl)c1NS(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C14H11ClN2O2S/c1-10-3-2-4-13(15)14(10)17-20(18,19)12-7-5-11(9-16)6-8-12/h2-8,17H,1H3
InChIKeyMBYQZRHVEKQGSU-UHFFFAOYSA-N
MW306.77 g/mol
LogP3.32
Rot. Bonds3

About N-(2-chloro-6-methylphenyl)-4-cyanobenzenesulfonamide

N-(2-chloro-6-methylphenyl)-4-cyanobenzenesulfonamide (PubChem CID 66254566) has the molecular formula C14H11ClN2O2S and a molecular weight of 306.77 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-4-cyanobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)-4-cyanobenzenesulfonamide
PubChem CID66254566
Molecular FormulaC14H11ClN2O2S
Molecular Weight306.77 g/mol
Exact Mass306.02
IUPAC NameN-(2-chloro-6-methylphenyl)-4-cyanobenzenesulfonamide
SMILESCc1cccc(Cl)c1NS(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C14H11ClN2O2S/c1-10-3-2-4-13(15)14(10)17-20(18,19)12-7-5-11(9-16)6-8-12/h2-8,17H,1H3
InChIKeyMBYQZRHVEKQGSU-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

4-cyano-N-(2,6-dichlorophenyl)benzenesulfonamide
CID 60640379
N-(2-chloro-6-methylphenyl)-4-methylbenzenesulfonamide
CID 19256835
N-(2-chloro-6-methylphenyl)-4-hydrazinylbenzenesulfonamide
CID 66255534
N-(3-chloro-2-hydroxyphenyl)-4-cyanobenzenesulfonamide
CID 78995732
2-chloro-5-cyano-N-(2-hydroxy-6-methylphenyl)benzenesulfonamide
CID 80698371
4-amino-N-(2-chloro-6-methylphenyl)-3-methoxybenzenesulfonamide
CID 81442347
4-cyano-N-(2,4,5-trichlorophenyl)benzenesulfonamide
CID 26979603
4-(aminomethyl)-3-chloro-N-(2-chloro-6-methylphenyl)benzenesulfonamide
CID 106070735
N-(2-chloro-6-fluorophenyl)-4-cyano-3-methylbenzenesulfonamide
CID 106919890
3-chloro-N-(4-cyanophenyl)-2-methylbenzenesulfonamide
CID 47309323
N-(2-chloro-6-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 66254277
3-bromo-N-(2-chloro-6-methylphenyl)-4-methoxybenzenesulfonamide
CID 66256215

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-4-cyanobenzenesulfonamide?
The IUPAC name of N-(2-chloro-6-methylphenyl)-4-cyanobenzenesulfonamide (CID 66254566) is N-(2-chloro-6-methylphenyl)-4-cyanobenzenesulfonamide.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)-4-cyanobenzenesulfonamide?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-4-cyanobenzenesulfonamide is Cc1cccc(Cl)c1NS(=O)(=O)c1ccc(C#N)cc1.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-4-cyanobenzenesulfonamide?
The InChIKey is MBYQZRHVEKQGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O2S/c1-10-3-2-4-13(15)14(10)17-20(18,19)12-7-5-11(9-16)6-8-12/h2-8,17H,1H3.
What are the key properties of N-(2-chloro-6-methylphenyl)-4-cyanobenzenesulfonamide?
N-(2-chloro-6-methylphenyl)-4-cyanobenzenesulfonamide 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 N-(2-chloro-6-methylphenyl)-4-cyanobenzenesulfonamide is sourced from PubChem (CID 66254566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).