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

C13H12ClNO3S — CID 3315949

IUPAC4-chloro-N-(4-hydroxy-2-methylphenyl)benzenesulfonamide
SMILESCc1cc(O)ccc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H12ClNO3S/c1-9-8-11(16)4-7-13(9)15-19(17,18)12-5-2-10(14)3-6-12/h2-8,15-16H,1H3
InChIKeyAKBNTBMUDKOVMR-UHFFFAOYSA-N
MW297.76 g/mol
LogP3.15
Rot. Bonds3

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

4-chloro-N-(4-hydroxy-2-methylphenyl)benzenesulfonamide (PubChem CID 3315949) has the molecular formula C13H12ClNO3S and a molecular weight of 297.76 g/mol. Its IUPAC name is 4-chloro-N-(4-hydroxy-2-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(4-hydroxy-2-methylphenyl)benzenesulfonamide
PubChem CID3315949
Molecular FormulaC13H12ClNO3S
Molecular Weight297.76 g/mol
Exact Mass297.02
IUPAC Name4-chloro-N-(4-hydroxy-2-methylphenyl)benzenesulfonamide
SMILESCc1cc(O)ccc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H12ClNO3S/c1-9-8-11(16)4-7-13(9)15-19(17,18)12-5-2-10(14)3-6-12/h2-8,15-16H,1H3
InChIKeyAKBNTBMUDKOVMR-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': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 4-chloro-N-(4-hydroxy-2-methylphenyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-4-chloro-N-(4-hydroxy-2-methylphenyl)benzenesulfonamide
CID 106606177
5,6-dichloro-N-(4-hydroxy-2-methylphenyl)pyridine-3-sulfonamide
CID 64606325
4-tert-butyl-N-(4-chloro-2-methylphenyl)benzenesulfonamide
CID 3644153
4-chloro-N-(4-chloro-2,6-dimethylphenyl)benzenesulfonamide
CID 4600723
N-(4-chloro-2-methylphenyl)-4-methoxybenzenesulfonamide
CID 4995778
N-(4-hydroxy-2-methylphenyl)-1,3-dioxoisoindole-5-sulfonamide
CID 100820383
N-[2-[(4-chlorophenyl)sulfonylamino]-4-methylphenyl]-4-methylbenzenesulfonamide
CID 2796859
4-chloro-N-(2-hydroxy-6-methylphenyl)benzenesulfonamide
CID 54909900
4-chloro-N-(5-iodo-2-methylphenyl)benzenesulfonamide
CID 114257249
1-N-(4-chloro-2-methylphenyl)-4-N,4-N-diethylbenzene-1,4-disulfonamide
CID 2681540
1-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-3-(4-chlorophenyl)urea
CID 2983994
4-chloro-N-(4-hydroxy-2-methylphenyl)-1-methylpyrazole-5-sulfonamide
CID 106147360

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-hydroxy-2-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(4-hydroxy-2-methylphenyl)benzenesulfonamide (CID 3315949) is 4-chloro-N-(4-hydroxy-2-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(4-hydroxy-2-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(4-hydroxy-2-methylphenyl)benzenesulfonamide is Cc1cc(O)ccc1NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(4-hydroxy-2-methylphenyl)benzenesulfonamide?
The InChIKey is AKBNTBMUDKOVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO3S/c1-9-8-11(16)4-7-13(9)15-19(17,18)12-5-2-10(14)3-6-12/h2-8,15-16H,1H3.
What are the key properties of 4-chloro-N-(4-hydroxy-2-methylphenyl)benzenesulfonamide?
4-chloro-N-(4-hydroxy-2-methylphenyl)benzenesulfonamide 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 4-chloro-N-(4-hydroxy-2-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 3315949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).