N-(2-acetylphenyl)-3-methylbenzenesulfonamide

C15H15NO3S — CID 24694730

IUPACN-(2-acetylphenyl)-3-methylbenzenesulfonamide
SMILESCC(=O)c1ccccc1NS(=O)(=O)c1cccc(C)c1
InChIInChI=1S/C15H15NO3S/c1-11-6-5-7-13(10-11)20(18,19)16-15-9-4-3-8-14(15)12(2)17/h3-10,16H,1-2H3
InChIKeyQBANUHFRACYKOT-UHFFFAOYSA-N
MW289.36 g/mol
LogP3.00
Rot. Bonds4

About N-(2-acetylphenyl)-3-methylbenzenesulfonamide

N-(2-acetylphenyl)-3-methylbenzenesulfonamide (PubChem CID 24694730) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-(2-acetylphenyl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-3-methylbenzenesulfonamide
PubChem CID24694730
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC NameN-(2-acetylphenyl)-3-methylbenzenesulfonamide
SMILESCC(=O)c1ccccc1NS(=O)(=O)c1cccc(C)c1
InChIInChI=1S/C15H15NO3S/c1-11-6-5-7-13(10-11)20(18,19)16-15-9-4-3-8-14(15)12(2)17/h3-10,16H,1-2H3
InChIKeyQBANUHFRACYKOT-UHFFFAOYSA-N
XLogP3.00
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-acetylphenyl)-3-fluorobenzenesulfonamide
CID 2526444
N-(2-iodophenyl)-3-methylbenzenesulfonamide
CID 47104358
N-(2,4-dichlorophenyl)-2-[(3-methylphenyl)sulfonylamino]benzamide
CID 158200671
3-methyl-N-(2-phenylphenyl)benzenesulfonamide
CID 3384228
2-[(3-methylphenyl)sulfonylamino]benzenesulfonamide
CID 57266876
N-(3-acetyl-2-hydroxyphenyl)-4-methylbenzenesulfonamide
CID 169373303
N-(2,5-dimethylphenyl)-3-methylbenzenesulfonamide
CID 47104321
N-(2,4-dimethylphenyl)-3-methylbenzenesulfonamide
CID 47104337
2-[(6-methylnaphthalen-2-yl)sulfonylamino]benzoate
CID 7573844
N-[4-[(2-acetylphenyl)sulfamoyl]-2-methoxyphenyl]acetamide
CID 8603481
3-[4-[(2-acetylphenyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 4237126
2-[(4-carbamoylphenyl)sulfonylamino]-N-(3-methylphenyl)benzamide
CID 46644069

Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-3-methylbenzenesulfonamide?
The IUPAC name of N-(2-acetylphenyl)-3-methylbenzenesulfonamide (CID 24694730) is N-(2-acetylphenyl)-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-acetylphenyl)-3-methylbenzenesulfonamide?
The canonical SMILES for N-(2-acetylphenyl)-3-methylbenzenesulfonamide is CC(=O)c1ccccc1NS(=O)(=O)c1cccc(C)c1.
What is the InChIKey of N-(2-acetylphenyl)-3-methylbenzenesulfonamide?
The InChIKey is QBANUHFRACYKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c1-11-6-5-7-13(10-11)20(18,19)16-15-9-4-3-8-14(15)12(2)17/h3-10,16H,1-2H3.
What are the key properties of N-(2-acetylphenyl)-3-methylbenzenesulfonamide?
N-(2-acetylphenyl)-3-methylbenzenesulfonamide has a molecular weight of 289.36 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 24694730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).