4-fluoro-N-(4-methylphenyl)sulfonylbenzamide

C14H12FNO3S — CID 738710

IUPAC4-fluoro-N-(4-methylphenyl)sulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)NC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C14H12FNO3S/c1-10-2-8-13(9-3-10)20(18,19)16-14(17)11-4-6-12(15)7-5-11/h2-9H,1H3,(H,16,17)
InChIKeyXJEIXSIGSHLKCL-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.25
Rot. Bonds3

About 4-fluoro-N-(4-methylphenyl)sulfonylbenzamide

4-fluoro-N-(4-methylphenyl)sulfonylbenzamide (PubChem CID 738710) has the molecular formula C14H12FNO3S and a molecular weight of 293.32 g/mol. Its IUPAC name is 4-fluoro-N-(4-methylphenyl)sulfonylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-(4-methylphenyl)sulfonylbenzamide
PubChem CID738710
Molecular FormulaC14H12FNO3S
Molecular Weight293.32 g/mol
Exact Mass293.05
IUPAC Name4-fluoro-N-(4-methylphenyl)sulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)NC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C14H12FNO3S/c1-10-2-8-13(9-3-10)20(18,19)16-14(17)11-4-6-12(15)7-5-11/h2-9H,1H3,(H,16,17)
InChIKeyXJEIXSIGSHLKCL-UHFFFAOYSA-N
XLogP2.25
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-N-(4-methylphenyl)sulfonylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(4-methylphenyl)sulfonylbenzamide?
The IUPAC name of 4-fluoro-N-(4-methylphenyl)sulfonylbenzamide (CID 738710) is 4-fluoro-N-(4-methylphenyl)sulfonylbenzamide.
What is the SMILES notation for 4-fluoro-N-(4-methylphenyl)sulfonylbenzamide?
The canonical SMILES for 4-fluoro-N-(4-methylphenyl)sulfonylbenzamide is Cc1ccc(S(=O)(=O)NC(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 4-fluoro-N-(4-methylphenyl)sulfonylbenzamide?
The InChIKey is XJEIXSIGSHLKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3S/c1-10-2-8-13(9-3-10)20(18,19)16-14(17)11-4-6-12(15)7-5-11/h2-9H,1H3,(H,16,17).
What are the key properties of 4-fluoro-N-(4-methylphenyl)sulfonylbenzamide?
4-fluoro-N-(4-methylphenyl)sulfonylbenzamide has a molecular weight of 293.32 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(4-methylphenyl)sulfonylbenzamide is sourced from PubChem (CID 738710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).