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

C15H15NO4S — CID 169373303

IUPACN-(3-acetyl-2-hydroxyphenyl)-4-methylbenzenesulfonamide
SMILESCC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1O
InChIInChI=1S/C15H15NO4S/c1-10-6-8-12(9-7-10)21(19,20)16-14-5-3-4-13(11(2)17)15(14)18/h3-9,16,18H,1-2H3
InChIKeyHPHKNWHUIXWHMW-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.70
Rot. Bonds4

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

N-(3-acetyl-2-hydroxyphenyl)-4-methylbenzenesulfonamide (PubChem CID 169373303) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is N-(3-acetyl-2-hydroxyphenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-acetyl-2-hydroxyphenyl)-4-methylbenzenesulfonamide
PubChem CID169373303
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC NameN-(3-acetyl-2-hydroxyphenyl)-4-methylbenzenesulfonamide
SMILESCC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1O
InChIInChI=1S/C15H15NO4S/c1-10-6-8-12(9-7-10)21(19,20)16-14-5-3-4-13(11(2)17)15(14)18/h3-9,16,18H,1-2H3
InChIKeyHPHKNWHUIXWHMW-UHFFFAOYSA-N
XLogP2.70
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-hydroxy-2-[(4-methylphenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide
CID 70133555
N-(2-acetyl-6-bromophenyl)-4-methylbenzenesulfonamide
CID 169370890
N-(3-acetyl-2-methylphenyl)-4-bromobenzenesulfonamide
CID 91114116
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 1010988
N-(2-acetylphenyl)-3-methylbenzenesulfonamide
CID 24694730
3-[(4-bromophenyl)sulfonylamino]-2-hydroxybenzoic acid
CID 104833135
1,3-bis[2-[(4-methylphenyl)sulfonylamino]phenyl]urea
CID 170548847
4-methyl-N-[2-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]benzenesulfonamide
CID 4711775
N-(2,6-dimethylphenyl)-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 19062451
N-[3-acetyl-1-(2,2-dimethylpropanoyl)indol-7-yl]-4-methylbenzenesulfonamide
CID 142745813
2-methyl-N-[2-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enamide
CID 18668318
2-[(4-acetamidophenyl)sulfonylamino]benzoate
CID 7040069

Frequently Asked Questions

What is the IUPAC name of N-(3-acetyl-2-hydroxyphenyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(3-acetyl-2-hydroxyphenyl)-4-methylbenzenesulfonamide (CID 169373303) is N-(3-acetyl-2-hydroxyphenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-acetyl-2-hydroxyphenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(3-acetyl-2-hydroxyphenyl)-4-methylbenzenesulfonamide is CC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1O.
What is the InChIKey of N-(3-acetyl-2-hydroxyphenyl)-4-methylbenzenesulfonamide?
The InChIKey is HPHKNWHUIXWHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-10-6-8-12(9-7-10)21(19,20)16-14-5-3-4-13(11(2)17)15(14)18/h3-9,16,18H,1-2H3.
What are the key properties of N-(3-acetyl-2-hydroxyphenyl)-4-methylbenzenesulfonamide?
N-(3-acetyl-2-hydroxyphenyl)-4-methylbenzenesulfonamide has a molecular weight of 305.36 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetyl-2-hydroxyphenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 169373303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).