4-fluoro-N-(2-methylphenyl)benzenesulfonamide

C13H12FNO2S — CID 668798

IUPAC4-fluoro-N-(2-methylphenyl)benzenesulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C13H12FNO2S/c1-10-4-2-3-5-13(10)15-18(16,17)12-8-6-11(14)7-9-12/h2-9,15H,1H3
InChIKeyYBRRAUWRFPQWFX-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.93
Rot. Bonds3

About 4-fluoro-N-(2-methylphenyl)benzenesulfonamide

4-fluoro-N-(2-methylphenyl)benzenesulfonamide (PubChem CID 668798) has the molecular formula C13H12FNO2S and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-fluoro-N-(2-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(2-methylphenyl)benzenesulfonamide
PubChem CID668798
Molecular FormulaC13H12FNO2S
Molecular Weight265.31 g/mol
Exact Mass265.06
IUPAC Name4-fluoro-N-(2-methylphenyl)benzenesulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C13H12FNO2S/c1-10-4-2-3-5-13(10)15-18(16,17)12-8-6-11(14)7-9-12/h2-9,15H,1H3
InChIKeyYBRRAUWRFPQWFX-UHFFFAOYSA-N
XLogP2.93
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(2-methylphenyl)benzenesulfonamide (CID 668798) is 4-fluoro-N-(2-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(2-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(2-methylphenyl)benzenesulfonamide is Cc1ccccc1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(2-methylphenyl)benzenesulfonamide?
The InChIKey is YBRRAUWRFPQWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO2S/c1-10-4-2-3-5-13(10)15-18(16,17)12-8-6-11(14)7-9-12/h2-9,15H,1H3.
What are the key properties of 4-fluoro-N-(2-methylphenyl)benzenesulfonamide?
4-fluoro-N-(2-methylphenyl)benzenesulfonamide has a molecular weight of 265.31 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 668798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).