3-acetyl-N-(2,3-difluorophenyl)benzenesulfonamide

C14H11F2NO3S — CID 51089499

IUPAC3-acetyl-N-(2,3-difluorophenyl)benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)Nc2cccc(F)c2F)c1
InChIInChI=1S/C14H11F2NO3S/c1-9(18)10-4-2-5-11(8-10)21(19,20)17-13-7-3-6-12(15)14(13)16/h2-8,17H,1H3
InChIKeyIDGBWSPPPLHXFR-UHFFFAOYSA-N
MW311.31 g/mol
LogP2.97
Rot. Bonds4

About 3-acetyl-N-(2,3-difluorophenyl)benzenesulfonamide

3-acetyl-N-(2,3-difluorophenyl)benzenesulfonamide (PubChem CID 51089499) has the molecular formula C14H11F2NO3S and a molecular weight of 311.31 g/mol. Its IUPAC name is 3-acetyl-N-(2,3-difluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-(2,3-difluorophenyl)benzenesulfonamide
PubChem CID51089499
Molecular FormulaC14H11F2NO3S
Molecular Weight311.31 g/mol
Exact Mass311.04
IUPAC Name3-acetyl-N-(2,3-difluorophenyl)benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)Nc2cccc(F)c2F)c1
InChIInChI=1S/C14H11F2NO3S/c1-9(18)10-4-2-5-11(8-10)21(19,20)17-13-7-3-6-12(15)14(13)16/h2-8,17H,1H3
InChIKeyIDGBWSPPPLHXFR-UHFFFAOYSA-N
XLogP2.97
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetyl-N-(5-chloro-2-methylphenyl)benzenesulfonamide
CID 8504652
3-acetyl-N-(4-fluoro-3-methylphenyl)benzenesulfonamide
CID 62813585
N-(2,3-difluorophenyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106017374
3-acetyl-N-(2-phenoxyphenyl)benzenesulfonamide
CID 2451069
3-cyano-N-(2,3-difluorophenyl)benzenesulfonamide
CID 47336983
3-amino-N-(2,3-difluorophenyl)-4-hydroxybenzenesulfonamide
CID 61076963
3-acetyl-N-(2-bromo-4-methylphenyl)benzenesulfonamide
CID 26979454
3-[(2-fluorophenyl)sulfamoyl]-N-(3-methylphenyl)benzamide
CID 26537969
3-cyano-N-(2,3-difluorophenyl)-4-fluorobenzenesulfonamide
CID 63235820
3-acetyl-N-(6-fluoro-3-pyridinyl)benzenesulfonamide
CID 103775761
3-[(2-fluorophenyl)sulfamoyl]-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 40790769
3-[(2-fluorophenyl)sulfamoyl]-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 40790771

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-(2,3-difluorophenyl)benzenesulfonamide?
The IUPAC name of 3-acetyl-N-(2,3-difluorophenyl)benzenesulfonamide (CID 51089499) is 3-acetyl-N-(2,3-difluorophenyl)benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-(2,3-difluorophenyl)benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-(2,3-difluorophenyl)benzenesulfonamide is CC(=O)c1cccc(S(=O)(=O)Nc2cccc(F)c2F)c1.
What is the InChIKey of 3-acetyl-N-(2,3-difluorophenyl)benzenesulfonamide?
The InChIKey is IDGBWSPPPLHXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO3S/c1-9(18)10-4-2-5-11(8-10)21(19,20)17-13-7-3-6-12(15)14(13)16/h2-8,17H,1H3.
What are the key properties of 3-acetyl-N-(2,3-difluorophenyl)benzenesulfonamide?
3-acetyl-N-(2,3-difluorophenyl)benzenesulfonamide has a molecular weight of 311.31 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-(2,3-difluorophenyl)benzenesulfonamide is sourced from PubChem (CID 51089499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).