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

C14H9F3N2O2S — CID 56806552

IUPAC2-cyano-N-(3,4-difluorophenyl)-3-fluoro-N-methylbenzenesulfonamide
SMILESCN(c1ccc(F)c(F)c1)S(=O)(=O)c1cccc(F)c1C#N
InChIInChI=1S/C14H9F3N2O2S/c1-19(9-5-6-12(16)13(17)7-9)22(20,21)14-4-2-3-11(15)10(14)8-18/h2-7H,1H3
InChIKeyVGKJAPQXLHRAFM-UHFFFAOYSA-N
MW326.30 g/mol
LogP2.80
Rot. Bonds3

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

2-cyano-N-(3,4-difluorophenyl)-3-fluoro-N-methylbenzenesulfonamide (PubChem CID 56806552) has the molecular formula C14H9F3N2O2S and a molecular weight of 326.30 g/mol. Its IUPAC name is 2-cyano-N-(3,4-difluorophenyl)-3-fluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-(3,4-difluorophenyl)-3-fluoro-N-methylbenzenesulfonamide
PubChem CID56806552
Molecular FormulaC14H9F3N2O2S
Molecular Weight326.30 g/mol
Exact Mass326.03
IUPAC Name2-cyano-N-(3,4-difluorophenyl)-3-fluoro-N-methylbenzenesulfonamide
SMILESCN(c1ccc(F)c(F)c1)S(=O)(=O)c1cccc(F)c1C#N
InChIInChI=1S/C14H9F3N2O2S/c1-19(9-5-6-12(16)13(17)7-9)22(20,21)14-4-2-3-11(15)10(14)8-18/h2-7H,1H3
InChIKeyVGKJAPQXLHRAFM-UHFFFAOYSA-N
XLogP2.80
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.30
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-3-fluoro-N-[(1R)-1-(furan-2-yl)ethyl]-N-methylbenzenesulfonamide
CID 95781639
2-cyano-3-fluoro-N-[(1S)-1-(furan-2-yl)ethyl]-N-methylbenzenesulfonamide
CID 95781638
N-(3,4-difluorophenyl)-N,4-dimethylbenzenesulfonamide
CID 47387538
2-fluoro-6-(2-methylphenyl)sulfonylbenzonitrile
CID 10683774
N-(4-cyanophenyl)-2,4-difluoro-N-methylbenzenesulfonamide
CID 62983286
2-fluoro-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide
CID 2369671
N-(3,4-difluorophenyl)-4-methoxy-N-methylbenzenesulfonamide
CID 94661208
2-amino-N-(3-cyanophenyl)-5-fluoro-N-methylbenzenesulfonamide
CID 62982457
2-cyano-N-(2-fluorophenyl)-N-methylpyridine-3-sulfonamide
CID 106595893
N-(3-cyanophenyl)-N-methyl-2-(methylamino)benzenesulfonamide
CID 62969702
2-chloro-4-cyano-N-(2-fluorophenyl)-N-methylbenzenesulfonamide
CID 103988558
2-cyano-N-(3-methoxyphenyl)-N-methylbenzenesulfonamide
CID 62004336

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(3,4-difluorophenyl)-3-fluoro-N-methylbenzenesulfonamide?
The IUPAC name of 2-cyano-N-(3,4-difluorophenyl)-3-fluoro-N-methylbenzenesulfonamide (CID 56806552) is 2-cyano-N-(3,4-difluorophenyl)-3-fluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-cyano-N-(3,4-difluorophenyl)-3-fluoro-N-methylbenzenesulfonamide?
The canonical SMILES for 2-cyano-N-(3,4-difluorophenyl)-3-fluoro-N-methylbenzenesulfonamide is CN(c1ccc(F)c(F)c1)S(=O)(=O)c1cccc(F)c1C#N.
What is the InChIKey of 2-cyano-N-(3,4-difluorophenyl)-3-fluoro-N-methylbenzenesulfonamide?
The InChIKey is VGKJAPQXLHRAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2O2S/c1-19(9-5-6-12(16)13(17)7-9)22(20,21)14-4-2-3-11(15)10(14)8-18/h2-7H,1H3.
What are the key properties of 2-cyano-N-(3,4-difluorophenyl)-3-fluoro-N-methylbenzenesulfonamide?
2-cyano-N-(3,4-difluorophenyl)-3-fluoro-N-methylbenzenesulfonamide has a molecular weight of 326.30 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(3,4-difluorophenyl)-3-fluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 56806552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).