N-(2,4-difluorophenyl)-3-fluoro-N-methylbenzenesulfonamide

C13H10F3NO2S — CID 3853010

IUPACN-(2,4-difluorophenyl)-3-fluoro-N-methylbenzenesulfonamide
SMILESCN(c1ccc(F)cc1F)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C13H10F3NO2S/c1-17(13-6-5-10(15)8-12(13)16)20(18,19)11-4-2-3-9(14)7-11/h2-8H,1H3
InChIKeyJBAUXYFFMSWQOG-UHFFFAOYSA-N
MW301.29 g/mol
LogP2.93
Rot. Bonds3

About N-(2,4-difluorophenyl)-3-fluoro-N-methylbenzenesulfonamide

N-(2,4-difluorophenyl)-3-fluoro-N-methylbenzenesulfonamide (PubChem CID 3853010) has the molecular formula C13H10F3NO2S and a molecular weight of 301.29 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-3-fluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-3-fluoro-N-methylbenzenesulfonamide
PubChem CID3853010
Molecular FormulaC13H10F3NO2S
Molecular Weight301.29 g/mol
Exact Mass301.04
IUPAC NameN-(2,4-difluorophenyl)-3-fluoro-N-methylbenzenesulfonamide
SMILESCN(c1ccc(F)cc1F)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C13H10F3NO2S/c1-17(13-6-5-10(15)8-12(13)16)20(18,19)11-4-2-3-9(14)7-11/h2-8H,1H3
InChIKeyJBAUXYFFMSWQOG-UHFFFAOYSA-N
XLogP2.93
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.29
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-difluorophenyl)-4-methoxy-N-methylbenzenesulfonamide
CID 3746925
N-(2,4-difluorophenyl)-N,2,3,5,6-pentamethylbenzenesulfonamide
CID 3857944
4-fluoro-N-(2-fluorophenyl)-N-methylbenzenesulfonamide
CID 51096183
N-(3-fluorophenyl)-N-methylbenzenesulfonamide
CID 64585359
3-amino-5-fluoro-N-(2-fluorophenyl)-N-methylbenzenesulfonamide
CID 63322631
N-(2,4-difluorophenyl)-N-ethyl-3-nitrobenzenesulfonamide
CID 100522809
4-chloro-N-(4-chloro-2-fluorophenyl)-N,3-dimethylbenzenesulfonamide
CID 167828829
N-cyclohexyl-3-fluoro-N-methylbenzenesulfonamide
CID 78786922
1-fluoro-3-[2-(3-fluorophenyl)sulfonylpropan-2-ylsulfonyl]benzene
CID 122424196
N-(2,6-difluorophenyl)-4-fluoro-N-methylbenzenesulfonamide
CID 47359938
3-fluoro-N,N-diphenylbenzenesulfonamide
CID 23881981
4-bromo-3-fluoro-N-(2-methoxyphenyl)-N-methylbenzenesulfonamide
CID 103697417

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-3-fluoro-N-methylbenzenesulfonamide?
The IUPAC name of N-(2,4-difluorophenyl)-3-fluoro-N-methylbenzenesulfonamide (CID 3853010) is N-(2,4-difluorophenyl)-3-fluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-3-fluoro-N-methylbenzenesulfonamide?
The canonical SMILES for N-(2,4-difluorophenyl)-3-fluoro-N-methylbenzenesulfonamide is CN(c1ccc(F)cc1F)S(=O)(=O)c1cccc(F)c1.
What is the InChIKey of N-(2,4-difluorophenyl)-3-fluoro-N-methylbenzenesulfonamide?
The InChIKey is JBAUXYFFMSWQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO2S/c1-17(13-6-5-10(15)8-12(13)16)20(18,19)11-4-2-3-9(14)7-11/h2-8H,1H3.
What are the key properties of N-(2,4-difluorophenyl)-3-fluoro-N-methylbenzenesulfonamide?
N-(2,4-difluorophenyl)-3-fluoro-N-methylbenzenesulfonamide has a molecular weight of 301.29 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-3-fluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 3853010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).