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

C14H11ClN2O2S — CID 7938773

IUPACN-(3-chloro-2-methylphenyl)-3-cyanobenzenesulfonamide
SMILESCc1c(Cl)cccc1NS(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C14H11ClN2O2S/c1-10-13(15)6-3-7-14(10)17-20(18,19)12-5-2-4-11(8-12)9-16/h2-8,17H,1H3
InChIKeyWNDLADSSNXWKPR-UHFFFAOYSA-N
MW306.77 g/mol
LogP3.32
Rot. Bonds3

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

N-(3-chloro-2-methylphenyl)-3-cyanobenzenesulfonamide (PubChem CID 7938773) has the molecular formula C14H11ClN2O2S and a molecular weight of 306.77 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-3-cyanobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-3-cyanobenzenesulfonamide
PubChem CID7938773
Molecular FormulaC14H11ClN2O2S
Molecular Weight306.77 g/mol
Exact Mass306.02
IUPAC NameN-(3-chloro-2-methylphenyl)-3-cyanobenzenesulfonamide
SMILESCc1c(Cl)cccc1NS(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C14H11ClN2O2S/c1-10-13(15)6-3-7-14(10)17-20(18,19)12-5-2-4-11(8-12)9-16/h2-8,17H,1H3
InChIKeyWNDLADSSNXWKPR-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

3-cyano-N-(3-hydroxy-2-methylphenyl)benzenesulfonamide
CID 64794037
3-amino-N-(3-chloro-2-methylphenyl)benzenesulfonamide
CID 18070649
N-(2-chloro-4-hydroxyphenyl)-3-cyanobenzenesulfonamide
CID 64786986
N-(5-chloro-4-fluoro-2-hydroxyphenyl)-3-cyanobenzenesulfonamide
CID 82722836
3-cyano-N-(2-iodophenyl)benzenesulfonamide
CID 7938667
N-(3-chloro-2-methylphenyl)-3-(hydroxymethyl)benzenesulfonamide
CID 107318048
3-cyano-N-(2,3-difluorophenyl)benzenesulfonamide
CID 47336983
3-cyano-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 26970591
N-(2-bromo-5-methylphenyl)-3-cyanobenzenesulfonamide
CID 82705509
N-(3-chloro-2-methylphenyl)-4-fluoro-3-methylbenzenesulfonamide
CID 1256135
2-chloro-N-(3-chloro-2-methylphenyl)pyridine-4-sulfonamide
CID 54895530
3-cyano-N-(2,4,5-trifluorophenyl)benzenesulfonamide
CID 62815564

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-3-cyanobenzenesulfonamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-3-cyanobenzenesulfonamide (CID 7938773) is N-(3-chloro-2-methylphenyl)-3-cyanobenzenesulfonamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-3-cyanobenzenesulfonamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-3-cyanobenzenesulfonamide is Cc1c(Cl)cccc1NS(=O)(=O)c1cccc(C#N)c1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-3-cyanobenzenesulfonamide?
The InChIKey is WNDLADSSNXWKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O2S/c1-10-13(15)6-3-7-14(10)17-20(18,19)12-5-2-4-11(8-12)9-16/h2-8,17H,1H3.
What are the key properties of N-(3-chloro-2-methylphenyl)-3-cyanobenzenesulfonamide?
N-(3-chloro-2-methylphenyl)-3-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-(3-chloro-2-methylphenyl)-3-cyanobenzenesulfonamide is sourced from PubChem (CID 7938773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).