N-(2,6-difluorophenyl)-4-fluoro-N-methylbenzenesulfonamide

C13H10F3NO2S — CID 47359938

IUPACN-(2,6-difluorophenyl)-4-fluoro-N-methylbenzenesulfonamide
SMILESCN(c1c(F)cccc1F)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C13H10F3NO2S/c1-17(13-11(15)3-2-4-12(13)16)20(18,19)10-7-5-9(14)6-8-10/h2-8H,1H3
InChIKeyGNJCSIVYSLGLBH-UHFFFAOYSA-N
MW301.29 g/mol
LogP2.93
Rot. Bonds3

About N-(2,6-difluorophenyl)-4-fluoro-N-methylbenzenesulfonamide

N-(2,6-difluorophenyl)-4-fluoro-N-methylbenzenesulfonamide (PubChem CID 47359938) has the molecular formula C13H10F3NO2S and a molecular weight of 301.29 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-4-fluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-4-fluoro-N-methylbenzenesulfonamide
PubChem CID47359938
Molecular FormulaC13H10F3NO2S
Molecular Weight301.29 g/mol
Exact Mass301.04
IUPAC NameN-(2,6-difluorophenyl)-4-fluoro-N-methylbenzenesulfonamide
SMILESCN(c1c(F)cccc1F)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C13H10F3NO2S/c1-17(13-11(15)3-2-4-12(13)16)20(18,19)10-7-5-9(14)6-8-10/h2-8H,1H3
InChIKeyGNJCSIVYSLGLBH-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

4-fluoro-N-(2-fluorophenyl)-N-methylbenzenesulfonamide
CID 51096183
N-(2-ethylphenyl)-4-fluoro-N-methylbenzenesulfonamide
CID 100502093
3-chloro-4-cyano-N-(2,6-difluorophenyl)-N-methylbenzenesulfonamide
CID 51092863
methyl 2-[(4-fluorophenyl)sulfonyl-methylamino]-3-methylbenzoate
CID 22633899
N-(5-chloro-2-methylphenyl)-4-fluoro-N-methylbenzenesulfonamide
CID 100503345
4-fluoro-N-hydroxy-N-methylbenzenesulfonamide
CID 130971080
N-(4-bromophenyl)-4-fluoro-N-methylbenzenesulfonamide
CID 100502341
4-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 106934928
4-fluoro-N-methyl-N-(2-methyl-3-nitrophenyl)benzenesulfonamide
CID 100504493
3-[(4-fluorophenyl)sulfonyl-methylamino]-2,4-dimethylbenzenesulfonamide
CID 2947972
N-(4-fluorophenyl)-N-methyl-4-methylsulfanylbenzenesulfonamide
CID 49189224
2-[(4-fluorophenyl)sulfonyl-methylamino]-3,4-dimethylbenzoic acid
CID 69306956

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-4-fluoro-N-methylbenzenesulfonamide?
The IUPAC name of N-(2,6-difluorophenyl)-4-fluoro-N-methylbenzenesulfonamide (CID 47359938) is N-(2,6-difluorophenyl)-4-fluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-4-fluoro-N-methylbenzenesulfonamide?
The canonical SMILES for N-(2,6-difluorophenyl)-4-fluoro-N-methylbenzenesulfonamide is CN(c1c(F)cccc1F)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-(2,6-difluorophenyl)-4-fluoro-N-methylbenzenesulfonamide?
The InChIKey is GNJCSIVYSLGLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO2S/c1-17(13-11(15)3-2-4-12(13)16)20(18,19)10-7-5-9(14)6-8-10/h2-8H,1H3.
What are the key properties of N-(2,6-difluorophenyl)-4-fluoro-N-methylbenzenesulfonamide?
N-(2,6-difluorophenyl)-4-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-(2,6-difluorophenyl)-4-fluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 47359938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).