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

C13H12ClNO3S — CID 79601343

IUPAC2-chloro-N-(2-hydroxy-3-methylphenyl)benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccccc2Cl)c1O
InChIInChI=1S/C13H12ClNO3S/c1-9-5-4-7-11(13(9)16)15-19(17,18)12-8-3-2-6-10(12)14/h2-8,15-16H,1H3
InChIKeyNKIQHPFBHKFKBA-UHFFFAOYSA-N
MW297.76 g/mol
LogP3.15
Rot. Bonds3

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

2-chloro-N-(2-hydroxy-3-methylphenyl)benzenesulfonamide (PubChem CID 79601343) has the molecular formula C13H12ClNO3S and a molecular weight of 297.76 g/mol. Its IUPAC name is 2-chloro-N-(2-hydroxy-3-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2-hydroxy-3-methylphenyl)benzenesulfonamide
PubChem CID79601343
Molecular FormulaC13H12ClNO3S
Molecular Weight297.76 g/mol
Exact Mass297.02
IUPAC Name2-chloro-N-(2-hydroxy-3-methylphenyl)benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccccc2Cl)c1O
InChIInChI=1S/C13H12ClNO3S/c1-9-5-4-7-11(13(9)16)15-19(17,18)12-8-3-2-6-10(12)14/h2-8,15-16H,1H3
InChIKeyNKIQHPFBHKFKBA-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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Related Compounds

N-(2-hydroxy-3-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 79602574
N-[3-chloro-2-(dimethylamino)phenyl]-2-methylbenzenesulfonamide
CID 62997649
3-chloro-N-(2-fluoro-3-hydroxyphenyl)-2-hydroxybenzenesulfonamide
CID 139011372
N-(2-bromophenyl)-2-chlorobenzenesulfonamide
CID 4816661
2-hydroxy-1-methyl-3-(sulfamoylamino)benzene
CID 114959258
3-[(2-chlorophenyl)sulfonylamino]-4-methylbenzoic acid
CID 4801006
2-chloro-N-[5-(hydroxymethyl)-2-methylphenyl]benzenesulfonamide
CID 111444701
2-chloro-N-(2-methylquinolin-8-yl)benzenesulfonamide
CID 110734195
2-chloro-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 5147339
N-(2-amino-5-methylphenyl)-2-chlorobenzenesulfonamide
CID 112557510
2-[(2-chlorophenyl)sulfonylamino]-N-(2,3-dimethylphenyl)acetamide
CID 26943189
2-[(2-chlorophenyl)sulfonylamino]-5-methylbenzoic acid
CID 28970995

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-hydroxy-3-methylphenyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-(2-hydroxy-3-methylphenyl)benzenesulfonamide (CID 79601343) is 2-chloro-N-(2-hydroxy-3-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(2-hydroxy-3-methylphenyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-(2-hydroxy-3-methylphenyl)benzenesulfonamide is Cc1cccc(NS(=O)(=O)c2ccccc2Cl)c1O.
What is the InChIKey of 2-chloro-N-(2-hydroxy-3-methylphenyl)benzenesulfonamide?
The InChIKey is NKIQHPFBHKFKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO3S/c1-9-5-4-7-11(13(9)16)15-19(17,18)12-8-3-2-6-10(12)14/h2-8,15-16H,1H3.
What are the key properties of 2-chloro-N-(2-hydroxy-3-methylphenyl)benzenesulfonamide?
2-chloro-N-(2-hydroxy-3-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 2-chloro-N-(2-hydroxy-3-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 79601343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).