2-chloro-4-cyano-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide

C14H11ClN2O3S — CID 103988582

IUPAC2-chloro-4-cyano-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C#N)cc2Cl)cc1O
InChIInChI=1S/C14H11ClN2O3S/c1-9-2-4-11(7-13(9)18)17-21(19,20)14-5-3-10(8-16)6-12(14)15/h2-7,17-18H,1H3
InChIKeyPSJHGHRVNGSIQW-UHFFFAOYSA-N
MW322.77 g/mol
LogP3.03
Rot. Bonds3

About 2-chloro-4-cyano-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide

2-chloro-4-cyano-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide (PubChem CID 103988582) has the molecular formula C14H11ClN2O3S and a molecular weight of 322.77 g/mol. Its IUPAC name is 2-chloro-4-cyano-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-cyano-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
PubChem CID103988582
Molecular FormulaC14H11ClN2O3S
Molecular Weight322.77 g/mol
Exact Mass322.02
IUPAC Name2-chloro-4-cyano-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C#N)cc2Cl)cc1O
InChIInChI=1S/C14H11ClN2O3S/c1-9-2-4-11(7-13(9)18)17-21(19,20)14-5-3-10(8-16)6-12(14)15/h2-7,17-18H,1H3
InChIKeyPSJHGHRVNGSIQW-UHFFFAOYSA-N
XLogP3.03
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.77
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-cyano-N-(3,4-dimethylphenyl)benzenesulfonamide
CID 103988464
4-bromo-2-chloro-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 64794050
2-chloro-N-(3-chloro-4-methylphenyl)-5-cyanobenzenesulfonamide
CID 80696837
2-chloro-4-cyano-N-(2-methylphenyl)benzenesulfonamide
CID 103988459
2,5-dichloro-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 7303996
N-(3-amino-4-methylphenyl)-4-cyano-2-methylbenzenesulfonamide
CID 106996459
2-chloro-4-cyano-N-(5-fluoro-2-hydroxyphenyl)benzenesulfonamide
CID 103988599
4-amino-2-chloro-N-(4-cyanophenyl)benzenesulfonamide
CID 28553639
2-chloro-5-cyano-N-(2-hydroxy-6-methylphenyl)benzenesulfonamide
CID 80698371
2-chloro-N-(3-chloro-2-methyl-4-pyridinyl)-4-cyanobenzenesulfonamide
CID 75523599
N-(3-hydroxy-4-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 64794059
2-chloro-N-(3-cyanophenyl)-4-fluorobenzenesulfonamide
CID 47154362

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-cyano-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide?
The IUPAC name of 2-chloro-4-cyano-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide (CID 103988582) is 2-chloro-4-cyano-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-4-cyano-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-4-cyano-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(C#N)cc2Cl)cc1O.
What is the InChIKey of 2-chloro-4-cyano-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide?
The InChIKey is PSJHGHRVNGSIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O3S/c1-9-2-4-11(7-13(9)18)17-21(19,20)14-5-3-10(8-16)6-12(14)15/h2-7,17-18H,1H3.
What are the key properties of 2-chloro-4-cyano-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide?
2-chloro-4-cyano-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide has a molecular weight of 322.77 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-cyano-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 103988582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).