N-(3-acetylphenyl)benzenesulfonamide

C14H13NO3S — CID 738634

IUPACN-(3-acetylphenyl)benzenesulfonamide
SMILESCC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C14H13NO3S/c1-11(16)12-6-5-7-13(10-12)15-19(17,18)14-8-3-2-4-9-14/h2-10,15H,1H3
InChIKeyACNVYECYPGKMHB-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.69
Rot. Bonds4

About N-(3-acetylphenyl)benzenesulfonamide

N-(3-acetylphenyl)benzenesulfonamide (PubChem CID 738634) has the molecular formula C14H13NO3S and a molecular weight of 275.33 g/mol. Its IUPAC name is N-(3-acetylphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)benzenesulfonamide
PubChem CID738634
Molecular FormulaC14H13NO3S
Molecular Weight275.33 g/mol
Exact Mass275.06
IUPAC NameN-(3-acetylphenyl)benzenesulfonamide
SMILESCC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C14H13NO3S/c1-11(16)12-6-5-7-13(10-12)15-19(17,18)14-8-3-2-4-9-14/h2-10,15H,1H3
InChIKeyACNVYECYPGKMHB-UHFFFAOYSA-N
XLogP2.69
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)benzenesulfonamide?
The IUPAC name of N-(3-acetylphenyl)benzenesulfonamide (CID 738634) is N-(3-acetylphenyl)benzenesulfonamide.
What is the SMILES notation for N-(3-acetylphenyl)benzenesulfonamide?
The canonical SMILES for N-(3-acetylphenyl)benzenesulfonamide is CC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of N-(3-acetylphenyl)benzenesulfonamide?
The InChIKey is ACNVYECYPGKMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3S/c1-11(16)12-6-5-7-13(10-12)15-19(17,18)14-8-3-2-4-9-14/h2-10,15H,1H3.
What are the key properties of N-(3-acetylphenyl)benzenesulfonamide?
N-(3-acetylphenyl)benzenesulfonamide has a molecular weight of 275.33 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)benzenesulfonamide is sourced from PubChem (CID 738634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).