N-(4-acetylphenyl)-3-methylbenzenesulfonamide

C15H15NO3S — CID 889998

IUPACN-(4-acetylphenyl)-3-methylbenzenesulfonamide
SMILESCC(=O)c1ccc(NS(=O)(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C15H15NO3S/c1-11-4-3-5-15(10-11)20(18,19)16-14-8-6-13(7-9-14)12(2)17/h3-10,16H,1-2H3
InChIKeySYCRBNLRUUVRIZ-UHFFFAOYSA-N
MW289.36 g/mol
LogP3.00
Rot. Bonds4

About N-(4-acetylphenyl)-3-methylbenzenesulfonamide

N-(4-acetylphenyl)-3-methylbenzenesulfonamide (PubChem CID 889998) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-methylbenzenesulfonamide
PubChem CID889998
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC NameN-(4-acetylphenyl)-3-methylbenzenesulfonamide
SMILESCC(=O)c1ccc(NS(=O)(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C15H15NO3S/c1-11-4-3-5-15(10-11)20(18,19)16-14-8-6-13(7-9-14)12(2)17/h3-10,16H,1-2H3
InChIKeySYCRBNLRUUVRIZ-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-(4-acetylphenyl)-3-methylbenzenesulfonamide?
The IUPAC name of N-(4-acetylphenyl)-3-methylbenzenesulfonamide (CID 889998) is N-(4-acetylphenyl)-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-methylbenzenesulfonamide?
The canonical SMILES for N-(4-acetylphenyl)-3-methylbenzenesulfonamide is CC(=O)c1ccc(NS(=O)(=O)c2cccc(C)c2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-3-methylbenzenesulfonamide?
The InChIKey is SYCRBNLRUUVRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c1-11-4-3-5-15(10-11)20(18,19)16-14-8-6-13(7-9-14)12(2)17/h3-10,16H,1-2H3.
What are the key properties of N-(4-acetylphenyl)-3-methylbenzenesulfonamide?
N-(4-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-(4-acetylphenyl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 889998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).