3-chloro-N-(4-cyanophenyl)-2-methylbenzenesulfonamide

C14H11ClN2O2S — CID 47309323

IUPAC3-chloro-N-(4-cyanophenyl)-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C14H11ClN2O2S/c1-10-13(15)3-2-4-14(10)20(18,19)17-12-7-5-11(9-16)6-8-12/h2-8,17H,1H3
InChIKeyNPSYWLUPLGHIPQ-UHFFFAOYSA-N
MW306.77 g/mol
LogP3.32
Rot. Bonds3

About 3-chloro-N-(4-cyanophenyl)-2-methylbenzenesulfonamide

3-chloro-N-(4-cyanophenyl)-2-methylbenzenesulfonamide (PubChem CID 47309323) has the molecular formula C14H11ClN2O2S and a molecular weight of 306.77 g/mol. Its IUPAC name is 3-chloro-N-(4-cyanophenyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(4-cyanophenyl)-2-methylbenzenesulfonamide
PubChem CID47309323
Molecular FormulaC14H11ClN2O2S
Molecular Weight306.77 g/mol
Exact Mass306.02
IUPAC Name3-chloro-N-(4-cyanophenyl)-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C14H11ClN2O2S/c1-10-13(15)3-2-4-14(10)20(18,19)17-12-7-5-11(9-16)6-8-12/h2-8,17H,1H3
InChIKeyNPSYWLUPLGHIPQ-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-chloro-2-methyl-N-(4-methylsulfonylphenyl)benzenesulfonamide
CID 60532748
N-(4-acetylphenyl)-3-chloro-2-methylbenzenesulfonamide
CID 60532816
N-(3-aminophenyl)-3-chloro-2-methylbenzenesulfonamide
CID 43602696
N-(4-cyanophenyl)-2-methoxybenzenesulfonamide
CID 47104401
N-(4-amino-3-methoxyphenyl)-3-chloro-2-methylbenzenesulfonamide
CID 43605036
4-amino-2-chloro-N-(4-cyanophenyl)benzenesulfonamide
CID 28553639
3-chloro-2-methyl-N-quinoxalin-6-ylbenzenesulfonamide
CID 11244517
3-amino-N-(2-chloro-4-cyanophenyl)-2-methylbenzenesulfonamide
CID 107806930
3-amino-N-(3-chloro-4-cyanophenyl)-2-methylbenzenesulfonamide
CID 43347895
4-(3-chloro-2-methylanilino)benzonitrile
CID 29031552
4-cyano-N-(2,6-dichlorophenyl)benzenesulfonamide
CID 60640379
3-chloro-N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2-methylbenzenesulfonamide
CID 122324374

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-cyanophenyl)-2-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-(4-cyanophenyl)-2-methylbenzenesulfonamide (CID 47309323) is 3-chloro-N-(4-cyanophenyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(4-cyanophenyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-(4-cyanophenyl)-2-methylbenzenesulfonamide is Cc1c(Cl)cccc1S(=O)(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of 3-chloro-N-(4-cyanophenyl)-2-methylbenzenesulfonamide?
The InChIKey is NPSYWLUPLGHIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O2S/c1-10-13(15)3-2-4-14(10)20(18,19)17-12-7-5-11(9-16)6-8-12/h2-8,17H,1H3.
What are the key properties of 3-chloro-N-(4-cyanophenyl)-2-methylbenzenesulfonamide?
3-chloro-N-(4-cyanophenyl)-2-methylbenzenesulfonamide 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 3-chloro-N-(4-cyanophenyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 47309323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).