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

C13H12ClNO3S — CID 64787368

IUPACN-(2-chloro-4-hydroxyphenyl)-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccc(O)cc2Cl)c1
InChIInChI=1S/C13H12ClNO3S/c1-9-3-2-4-11(7-9)19(17,18)15-13-6-5-10(16)8-12(13)14/h2-8,15-16H,1H3
InChIKeyGUUGXSYNBARVJS-UHFFFAOYSA-N
MW297.76 g/mol
LogP3.15
Rot. Bonds3

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

N-(2-chloro-4-hydroxyphenyl)-3-methylbenzenesulfonamide (PubChem CID 64787368) has the molecular formula C13H12ClNO3S and a molecular weight of 297.76 g/mol. Its IUPAC name is N-(2-chloro-4-hydroxyphenyl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-4-hydroxyphenyl)-3-methylbenzenesulfonamide
PubChem CID64787368
Molecular FormulaC13H12ClNO3S
Molecular Weight297.76 g/mol
Exact Mass297.02
IUPAC NameN-(2-chloro-4-hydroxyphenyl)-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccc(O)cc2Cl)c1
InChIInChI=1S/C13H12ClNO3S/c1-9-3-2-4-11(7-9)19(17,18)15-13-6-5-10(16)8-12(13)14/h2-8,15-16H,1H3
InChIKeyGUUGXSYNBARVJS-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'}

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Related Compounds

N-(2-chloro-4-methoxyphenyl)-3-methylbenzenesulfonamide
CID 110777955
N-(4-chloro-2-hydroxyphenyl)-3-methylbenzenesulfonamide
CID 81433189
N-(2-chloro-4-hydroxyphenyl)-3-cyanobenzenesulfonamide
CID 64786986
N-(5-chloro-4-fluoro-2-hydroxyphenyl)-3-methylbenzenesulfonamide
CID 82719616
N-(2,4-dimethylphenyl)-3-methylbenzenesulfonamide
CID 47104337
N-(2-fluoro-4-methylphenyl)-3-hydroxybenzenesulfonamide
CID 81258256
N-(2-hydroxy-6-methylphenyl)-3-methylbenzenesulfonamide
CID 54909431
N-(2-chloro-4-cyanophenyl)-3-hydroxybenzenesulfonamide
CID 107809240
N-[4-(4-hydroxyphenyl)phenyl]-3-methylbenzenesulfonamide
CID 53324532
N-(2,4-dichlorophenyl)-2-[(3-methylphenyl)sulfonylamino]benzamide
CID 158200671
3-chloro-N-(2,4-dichlorophenyl)benzenesulfonamide
CID 26952629
N-(2,5-dimethylphenyl)-3-methylbenzenesulfonamide
CID 47104321

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-hydroxyphenyl)-3-methylbenzenesulfonamide?
The IUPAC name of N-(2-chloro-4-hydroxyphenyl)-3-methylbenzenesulfonamide (CID 64787368) is N-(2-chloro-4-hydroxyphenyl)-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-chloro-4-hydroxyphenyl)-3-methylbenzenesulfonamide?
The canonical SMILES for N-(2-chloro-4-hydroxyphenyl)-3-methylbenzenesulfonamide is Cc1cccc(S(=O)(=O)Nc2ccc(O)cc2Cl)c1.
What is the InChIKey of N-(2-chloro-4-hydroxyphenyl)-3-methylbenzenesulfonamide?
The InChIKey is GUUGXSYNBARVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO3S/c1-9-3-2-4-11(7-9)19(17,18)15-13-6-5-10(16)8-12(13)14/h2-8,15-16H,1H3.
What are the key properties of N-(2-chloro-4-hydroxyphenyl)-3-methylbenzenesulfonamide?
N-(2-chloro-4-hydroxyphenyl)-3-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-(2-chloro-4-hydroxyphenyl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 64787368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).