N-(2-acetylphenyl)-2,3,4-trifluorobenzenesulfonamide

C14H10F3NO3S — CID 2442571

IUPACN-(2-acetylphenyl)-2,3,4-trifluorobenzenesulfonamide
SMILESCC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C14H10F3NO3S/c1-8(19)9-4-2-3-5-11(9)18-22(20,21)12-7-6-10(15)13(16)14(12)17/h2-7,18H,1H3
InChIKeyZBXDPSHLUYDQBC-UHFFFAOYSA-N
MW329.30 g/mol
LogP3.11
Rot. Bonds4

About N-(2-acetylphenyl)-2,3,4-trifluorobenzenesulfonamide

N-(2-acetylphenyl)-2,3,4-trifluorobenzenesulfonamide (PubChem CID 2442571) has the molecular formula C14H10F3NO3S and a molecular weight of 329.30 g/mol. Its IUPAC name is N-(2-acetylphenyl)-2,3,4-trifluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-2,3,4-trifluorobenzenesulfonamide
PubChem CID2442571
Molecular FormulaC14H10F3NO3S
Molecular Weight329.30 g/mol
Exact Mass329.03
IUPAC NameN-(2-acetylphenyl)-2,3,4-trifluorobenzenesulfonamide
SMILESCC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C14H10F3NO3S/c1-8(19)9-4-2-3-5-11(9)18-22(20,21)12-7-6-10(15)13(16)14(12)17/h2-7,18H,1H3
InChIKeyZBXDPSHLUYDQBC-UHFFFAOYSA-N
XLogP3.11
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.30
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-(aminomethyl)phenyl]-2,3,4-trifluorobenzenesulfonamide
CID 64894668
N-(2-acetylphenyl)-3-fluorobenzenesulfonamide
CID 2526444
N-[[(2S)-oxolan-2-yl]methyl]-2-[(2,3,4-trifluorophenyl)sulfonylamino]benzamide
CID 8843726
2-[(2,3-difluorophenyl)sulfonylamino]-N-(3-methylphenyl)benzamide
CID 60621514
N-(2-benzylphenyl)-2,3,4-trifluorobenzenesulfonamide
CID 2441935
N-(2-acetylphenyl)-2-chloropyridine-3-sulfonamide
CID 24621346
2-[(4-chloro-2-fluorophenyl)sulfonylamino]benzamide
CID 4793321
2-(methylamino)-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 62149736
1-acetyl-2-(dimethylsulfamoylamino)benzene
CID 28788463
propan-2-yl 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate
CID 16619625
N-(2-acetylphenyl)-3-methylbenzenesulfonamide
CID 24694730
2,3,4-trifluoro-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 43069416

Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-2,3,4-trifluorobenzenesulfonamide?
The IUPAC name of N-(2-acetylphenyl)-2,3,4-trifluorobenzenesulfonamide (CID 2442571) is N-(2-acetylphenyl)-2,3,4-trifluorobenzenesulfonamide.
What is the SMILES notation for N-(2-acetylphenyl)-2,3,4-trifluorobenzenesulfonamide?
The canonical SMILES for N-(2-acetylphenyl)-2,3,4-trifluorobenzenesulfonamide is CC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)c(F)c1F.
What is the InChIKey of N-(2-acetylphenyl)-2,3,4-trifluorobenzenesulfonamide?
The InChIKey is ZBXDPSHLUYDQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO3S/c1-8(19)9-4-2-3-5-11(9)18-22(20,21)12-7-6-10(15)13(16)14(12)17/h2-7,18H,1H3.
What are the key properties of N-(2-acetylphenyl)-2,3,4-trifluorobenzenesulfonamide?
N-(2-acetylphenyl)-2,3,4-trifluorobenzenesulfonamide has a molecular weight of 329.30 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)-2,3,4-trifluorobenzenesulfonamide is sourced from PubChem (CID 2442571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).