N-(2-acetylphenyl)-4-methylbenzenesulfonamide

C15H15NO3S — CID 3451343

IUPACN-(2-acetylphenyl)-4-methylbenzenesulfonamide
SMILESCC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H15NO3S/c1-11-7-9-13(10-8-11)20(18,19)16-15-6-4-3-5-14(15)12(2)17/h3-10,16H,1-2H3
InChIKeyBESFPNZPXZYZHI-UHFFFAOYSA-N
MW289.36 g/mol
LogP3.00
Rot. Bonds4

About N-(2-acetylphenyl)-4-methylbenzenesulfonamide

N-(2-acetylphenyl)-4-methylbenzenesulfonamide (PubChem CID 3451343) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-(2-acetylphenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-4-methylbenzenesulfonamide
PubChem CID3451343
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC NameN-(2-acetylphenyl)-4-methylbenzenesulfonamide
SMILESCC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H15NO3S/c1-11-7-9-13(10-8-11)20(18,19)16-15-6-4-3-5-14(15)12(2)17/h3-10,16H,1-2H3
InChIKeyBESFPNZPXZYZHI-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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Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(2-acetylphenyl)-4-methylbenzenesulfonamide (CID 3451343) is N-(2-acetylphenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-acetylphenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(2-acetylphenyl)-4-methylbenzenesulfonamide is CC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(2-acetylphenyl)-4-methylbenzenesulfonamide?
The InChIKey is BESFPNZPXZYZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c1-11-7-9-13(10-8-11)20(18,19)16-15-6-4-3-5-14(15)12(2)17/h3-10,16H,1-2H3.
What are the key properties of N-(2-acetylphenyl)-4-methylbenzenesulfonamide?
N-(2-acetylphenyl)-4-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)-4-methylbenzenesulfonamide is sourced from PubChem (CID 3451343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).