N-(3-acetylphenyl)-4-fluorobenzenesulfonamide

C14H12FNO3S — CID 895543

IUPACN-(3-acetylphenyl)-4-fluorobenzenesulfonamide
SMILESCC(=O)c1cccc(NS(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C14H12FNO3S/c1-10(17)11-3-2-4-13(9-11)16-20(18,19)14-7-5-12(15)6-8-14/h2-9,16H,1H3
InChIKeyIONJEKMNAIYFAM-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.83
Rot. Bonds4

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

N-(3-acetylphenyl)-4-fluorobenzenesulfonamide (PubChem CID 895543) has the molecular formula C14H12FNO3S and a molecular weight of 293.32 g/mol. Its IUPAC name is N-(3-acetylphenyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-4-fluorobenzenesulfonamide
PubChem CID895543
Molecular FormulaC14H12FNO3S
Molecular Weight293.32 g/mol
Exact Mass293.05
IUPAC NameN-(3-acetylphenyl)-4-fluorobenzenesulfonamide
SMILESCC(=O)c1cccc(NS(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C14H12FNO3S/c1-10(17)11-3-2-4-13(9-11)16-20(18,19)14-7-5-12(15)6-8-14/h2-9,16H,1H3
InChIKeyIONJEKMNAIYFAM-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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Related Compounds

CID 5319
CID 5319
CID 563797
CID 563797
CID 31501
CID 31501
CID 706824
CID 706824
CID 583674
CID 583674
CID 682447
CID 682447
CID 788806
CID 788806
CID 837238
CID 837238
CID 7022526
CID 7022526
CID 11501517
CID 11501517
CID 11588699
CID 11588699
CID 11638839
CID 11638839

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-4-fluorobenzenesulfonamide?
The IUPAC name of N-(3-acetylphenyl)-4-fluorobenzenesulfonamide (CID 895543) is N-(3-acetylphenyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(3-acetylphenyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(3-acetylphenyl)-4-fluorobenzenesulfonamide is CC(=O)c1cccc(NS(=O)(=O)c2ccc(F)cc2)c1.
What is the InChIKey of N-(3-acetylphenyl)-4-fluorobenzenesulfonamide?
The InChIKey is IONJEKMNAIYFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3S/c1-10(17)11-3-2-4-13(9-11)16-20(18,19)14-7-5-12(15)6-8-14/h2-9,16H,1H3.
What are the key properties of N-(3-acetylphenyl)-4-fluorobenzenesulfonamide?
N-(3-acetylphenyl)-4-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)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 895543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).