4-fluoro-N-(2-fluorophenyl)-N-methylbenzenesulfonamide

C13H11F2NO2S — CID 51096183

IUPAC4-fluoro-N-(2-fluorophenyl)-N-methylbenzenesulfonamide
SMILESCN(c1ccccc1F)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C13H11F2NO2S/c1-16(13-5-3-2-4-12(13)15)19(17,18)11-8-6-10(14)7-9-11/h2-9H,1H3
InChIKeyQRDKJJCEYAQGII-UHFFFAOYSA-N
MW283.30 g/mol
LogP2.79
Rot. Bonds3

About 4-fluoro-N-(2-fluorophenyl)-N-methylbenzenesulfonamide

4-fluoro-N-(2-fluorophenyl)-N-methylbenzenesulfonamide (PubChem CID 51096183) has the molecular formula C13H11F2NO2S and a molecular weight of 283.30 g/mol. Its IUPAC name is 4-fluoro-N-(2-fluorophenyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(2-fluorophenyl)-N-methylbenzenesulfonamide
PubChem CID51096183
Molecular FormulaC13H11F2NO2S
Molecular Weight283.30 g/mol
Exact Mass283.05
IUPAC Name4-fluoro-N-(2-fluorophenyl)-N-methylbenzenesulfonamide
SMILESCN(c1ccccc1F)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C13H11F2NO2S/c1-16(13-5-3-2-4-12(13)15)19(17,18)11-8-6-10(14)7-9-11/h2-9H,1H3
InChIKeyQRDKJJCEYAQGII-UHFFFAOYSA-N
XLogP2.79
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-difluorophenyl)-4-fluoro-N-methylbenzenesulfonamide
CID 47359938
N-(2-ethylphenyl)-4-fluoro-N-methylbenzenesulfonamide
CID 100502093
3-amino-5-fluoro-N-(2-fluorophenyl)-N-methylbenzenesulfonamide
CID 63322631
4-fluoro-N-methyl-N-(2-methyl-3-nitrophenyl)benzenesulfonamide
CID 100504493
N-(2,4-difluorophenyl)-3-fluoro-N-methylbenzenesulfonamide
CID 3853010
N-(5-chloro-2-methylphenyl)-4-fluoro-N-methylbenzenesulfonamide
CID 100503345
N-(2,4-difluorophenyl)-4-methoxy-N-methylbenzenesulfonamide
CID 3746925
N-(2-fluorophenyl)-N-methyl-1-phenylpyrazole-4-sulfonamide
CID 47092048
4-fluoro-N-hydroxy-N-methylbenzenesulfonamide
CID 130971080
4-bromo-3-fluoro-N-(2-methoxyphenyl)-N-methylbenzenesulfonamide
CID 103697417
N-(4-bromophenyl)-4-fluoro-N-methylbenzenesulfonamide
CID 100502341
4-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 106934928

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-fluorophenyl)-N-methylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N-(2-fluorophenyl)-N-methylbenzenesulfonamide (CID 51096183) is 4-fluoro-N-(2-fluorophenyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(2-fluorophenyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(2-fluorophenyl)-N-methylbenzenesulfonamide is CN(c1ccccc1F)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(2-fluorophenyl)-N-methylbenzenesulfonamide?
The InChIKey is QRDKJJCEYAQGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO2S/c1-16(13-5-3-2-4-12(13)15)19(17,18)11-8-6-10(14)7-9-11/h2-9H,1H3.
What are the key properties of 4-fluoro-N-(2-fluorophenyl)-N-methylbenzenesulfonamide?
4-fluoro-N-(2-fluorophenyl)-N-methylbenzenesulfonamide has a molecular weight of 283.30 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-fluorophenyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 51096183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).