3-cyano-N-(2,6-difluorophenyl)benzenesulfonamide

C13H8F2N2O2S — CID 8500884

IUPAC3-cyano-N-(2,6-difluorophenyl)benzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)Nc2c(F)cccc2F)c1
InChIInChI=1S/C13H8F2N2O2S/c14-11-5-2-6-12(15)13(11)17-20(18,19)10-4-1-3-9(7-10)8-16/h1-7,17H
InChIKeyHZGWMQVREBWREY-UHFFFAOYSA-N
MW294.28 g/mol
LogP2.64
Rot. Bonds3

About 3-cyano-N-(2,6-difluorophenyl)benzenesulfonamide

3-cyano-N-(2,6-difluorophenyl)benzenesulfonamide (PubChem CID 8500884) has the molecular formula C13H8F2N2O2S and a molecular weight of 294.28 g/mol. Its IUPAC name is 3-cyano-N-(2,6-difluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-(2,6-difluorophenyl)benzenesulfonamide
PubChem CID8500884
Molecular FormulaC13H8F2N2O2S
Molecular Weight294.28 g/mol
Exact Mass294.03
IUPAC Name3-cyano-N-(2,6-difluorophenyl)benzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)Nc2c(F)cccc2F)c1
InChIInChI=1S/C13H8F2N2O2S/c14-11-5-2-6-12(15)13(11)17-20(18,19)10-4-1-3-9(7-10)8-16/h1-7,17H
InChIKeyHZGWMQVREBWREY-UHFFFAOYSA-N
XLogP2.64
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyano-N-(2,3-difluorophenyl)benzenesulfonamide
CID 47336983
3-cyano-N-(2,4,5-trifluorophenyl)benzenesulfonamide
CID 62815564
3-cyano-N-(5-fluoropyrimidin-2-yl)benzenesulfonamide
CID 66905539
3-cyano-N-[3-(methanesulfonamido)phenyl]benzenesulfonamide
CID 25331446
N-(2,6-difluorophenyl)-3,4-difluorobenzenesulfonamide
CID 8500850
3-cyano-N-(5-fluoro-2-hydroxyphenyl)benzenesulfonamide
CID 64794952
N-(5-chloro-4-fluoro-2-hydroxyphenyl)-3-cyanobenzenesulfonamide
CID 82722836
3-cyano-N-(3-hydroxy-2-methylphenyl)benzenesulfonamide
CID 64794037
3-cyano-N-(2-iodophenyl)benzenesulfonamide
CID 7938667
3-cyano-N-[(3,4,5-trifluorophenyl)methyl]benzenesulfonamide
CID 3292896
N-(3-chloro-2-methylphenyl)-3-cyanobenzenesulfonamide
CID 7938773
N-(3-cyanophenyl)-2,6-difluorobenzenesulfonamide
CID 3712473

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(2,6-difluorophenyl)benzenesulfonamide?
The IUPAC name of 3-cyano-N-(2,6-difluorophenyl)benzenesulfonamide (CID 8500884) is 3-cyano-N-(2,6-difluorophenyl)benzenesulfonamide.
What is the SMILES notation for 3-cyano-N-(2,6-difluorophenyl)benzenesulfonamide?
The canonical SMILES for 3-cyano-N-(2,6-difluorophenyl)benzenesulfonamide is N#Cc1cccc(S(=O)(=O)Nc2c(F)cccc2F)c1.
What is the InChIKey of 3-cyano-N-(2,6-difluorophenyl)benzenesulfonamide?
The InChIKey is HZGWMQVREBWREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N2O2S/c14-11-5-2-6-12(15)13(11)17-20(18,19)10-4-1-3-9(7-10)8-16/h1-7,17H.
What are the key properties of 3-cyano-N-(2,6-difluorophenyl)benzenesulfonamide?
3-cyano-N-(2,6-difluorophenyl)benzenesulfonamide has a molecular weight of 294.28 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(2,6-difluorophenyl)benzenesulfonamide is sourced from PubChem (CID 8500884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).