N-(4-chloro-2-hydroxyphenyl)-4-methylbenzenesulfonamide

C13H12ClNO3S — CID 53384251

IUPACN-(4-chloro-2-hydroxyphenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2O)cc1
InChIInChI=1S/C13H12ClNO3S/c1-9-2-5-11(6-3-9)19(17,18)15-12-7-4-10(14)8-13(12)16/h2-8,15-16H,1H3
InChIKeyKSYHCQYDJXWCTC-UHFFFAOYSA-N
MW297.76 g/mol
LogP3.15
Rot. Bonds3

About N-(4-chloro-2-hydroxyphenyl)-4-methylbenzenesulfonamide

N-(4-chloro-2-hydroxyphenyl)-4-methylbenzenesulfonamide (PubChem CID 53384251) has the molecular formula C13H12ClNO3S and a molecular weight of 297.76 g/mol. Its IUPAC name is N-(4-chloro-2-hydroxyphenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-chloro-2-hydroxyphenyl)-4-methylbenzenesulfonamide
PubChem CID53384251
Molecular FormulaC13H12ClNO3S
Molecular Weight297.76 g/mol
Exact Mass297.02
IUPAC NameN-(4-chloro-2-hydroxyphenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2O)cc1
InChIInChI=1S/C13H12ClNO3S/c1-9-2-5-11(6-3-9)19(17,18)15-12-7-4-10(14)8-13(12)16/h2-8,15-16H,1H3
InChIKeyKSYHCQYDJXWCTC-UHFFFAOYSA-N
XLogP3.15
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.76
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-hydroxyphenyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(4-chloro-2-hydroxyphenyl)-4-methylbenzenesulfonamide (CID 53384251) is N-(4-chloro-2-hydroxyphenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-chloro-2-hydroxyphenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(4-chloro-2-hydroxyphenyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2O)cc1.
What is the InChIKey of N-(4-chloro-2-hydroxyphenyl)-4-methylbenzenesulfonamide?
The InChIKey is KSYHCQYDJXWCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO3S/c1-9-2-5-11(6-3-9)19(17,18)15-12-7-4-10(14)8-13(12)16/h2-8,15-16H,1H3.
What are the key properties of N-(4-chloro-2-hydroxyphenyl)-4-methylbenzenesulfonamide?
N-(4-chloro-2-hydroxyphenyl)-4-methylbenzenesulfonamide has a molecular weight of 297.76 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-hydroxyphenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 53384251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).