N-(3-acetylphenyl)-3-fluorobenzenesulfonamide

C14H12FNO3S — CID 2188875

IUPACN-(3-acetylphenyl)-3-fluorobenzenesulfonamide
SMILESCC(=O)c1cccc(NS(=O)(=O)c2cccc(F)c2)c1
InChIInChI=1S/C14H12FNO3S/c1-10(17)11-4-2-6-13(8-11)16-20(18,19)14-7-3-5-12(15)9-14/h2-9,16H,1H3
InChIKeyYWPQYRPFMOTQFA-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.83
Rot. Bonds4

About N-(3-acetylphenyl)-3-fluorobenzenesulfonamide

N-(3-acetylphenyl)-3-fluorobenzenesulfonamide (PubChem CID 2188875) has the molecular formula C14H12FNO3S and a molecular weight of 293.32 g/mol. Its IUPAC name is N-(3-acetylphenyl)-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-3-fluorobenzenesulfonamide
PubChem CID2188875
Molecular FormulaC14H12FNO3S
Molecular Weight293.32 g/mol
Exact Mass293.05
IUPAC NameN-(3-acetylphenyl)-3-fluorobenzenesulfonamide
SMILESCC(=O)c1cccc(NS(=O)(=O)c2cccc(F)c2)c1
InChIInChI=1S/C14H12FNO3S/c1-10(17)11-4-2-6-13(8-11)16-20(18,19)14-7-3-5-12(15)9-14/h2-9,16H,1H3
InChIKeyYWPQYRPFMOTQFA-UHFFFAOYSA-N
XLogP2.83
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-3-fluorobenzenesulfonamide?
The IUPAC name of N-(3-acetylphenyl)-3-fluorobenzenesulfonamide (CID 2188875) is N-(3-acetylphenyl)-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-(3-acetylphenyl)-3-fluorobenzenesulfonamide?
The canonical SMILES for N-(3-acetylphenyl)-3-fluorobenzenesulfonamide is CC(=O)c1cccc(NS(=O)(=O)c2cccc(F)c2)c1.
What is the InChIKey of N-(3-acetylphenyl)-3-fluorobenzenesulfonamide?
The InChIKey is YWPQYRPFMOTQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3S/c1-10(17)11-4-2-6-13(8-11)16-20(18,19)14-7-3-5-12(15)9-14/h2-9,16H,1H3.
What are the key properties of N-(3-acetylphenyl)-3-fluorobenzenesulfonamide?
N-(3-acetylphenyl)-3-fluorobenzenesulfonamide has a molecular weight of 293.32 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-3-fluorobenzenesulfonamide is sourced from PubChem (CID 2188875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).