N-(3-cyanophenyl)-2,6-difluorobenzenesulfonamide

C13H8F2N2O2S — CID 3712473

IUPACN-(3-cyanophenyl)-2,6-difluorobenzenesulfonamide
SMILESN#Cc1cccc(NS(=O)(=O)c2c(F)cccc2F)c1
InChIInChI=1S/C13H8F2N2O2S/c14-11-5-2-6-12(15)13(11)20(18,19)17-10-4-1-3-9(7-10)8-16/h1-7,17H
InChIKeyVGMGSQJXESWUGU-UHFFFAOYSA-N
MW294.28 g/mol
LogP2.64
Rot. Bonds3

About N-(3-cyanophenyl)-2,6-difluorobenzenesulfonamide

N-(3-cyanophenyl)-2,6-difluorobenzenesulfonamide (PubChem CID 3712473) has the molecular formula C13H8F2N2O2S and a molecular weight of 294.28 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2,6-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2,6-difluorobenzenesulfonamide
PubChem CID3712473
Molecular FormulaC13H8F2N2O2S
Molecular Weight294.28 g/mol
Exact Mass294.03
IUPAC NameN-(3-cyanophenyl)-2,6-difluorobenzenesulfonamide
SMILESN#Cc1cccc(NS(=O)(=O)c2c(F)cccc2F)c1
InChIInChI=1S/C13H8F2N2O2S/c14-11-5-2-6-12(15)13(11)20(18,19)17-10-4-1-3-9(7-10)8-16/h1-7,17H
InChIKeyVGMGSQJXESWUGU-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

2,6-dichloro-N-(3-cyanophenyl)benzenesulfonamide
CID 26979574
4-bromo-N-(3-cyanophenyl)-2-fluorobenzenesulfonamide
CID 116527479
4-amino-N-(3-cyanophenyl)-2,6-dimethylbenzenesulfonamide
CID 79556049
2,6-difluoro-N-[3-(methanesulfonamido)phenyl]benzenesulfonamide
CID 35540385
2-amino-N-(3-cyanophenyl)-6-methylbenzenesulfonamide
CID 43452384
2-chloro-N-(3-cyanophenyl)-4-fluorobenzenesulfonamide
CID 47154362
N-(3-cyanophenyl)-1,1-difluoromethanesulfonamide
CID 28607007
3-amino-N-(3-cyanophenyl)-2,6-dimethylbenzenesulfonamide
CID 43257536
1-cyano-3-(dimethylsulfamoylamino)benzene
CID 28788421
3-cyano-N-(2,6-difluorophenyl)benzenesulfonamide
CID 8500884
N-[4-(3-cyanoanilino)phenyl]-4-fluorobenzenesulfonamide
CID 112989988
2,5-dibromo-N-(3-cyanophenyl)-4-methylbenzenesulfonamide
CID 80711667

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2,6-difluorobenzenesulfonamide?
The IUPAC name of N-(3-cyanophenyl)-2,6-difluorobenzenesulfonamide (CID 3712473) is N-(3-cyanophenyl)-2,6-difluorobenzenesulfonamide.
What is the SMILES notation for N-(3-cyanophenyl)-2,6-difluorobenzenesulfonamide?
The canonical SMILES for N-(3-cyanophenyl)-2,6-difluorobenzenesulfonamide is N#Cc1cccc(NS(=O)(=O)c2c(F)cccc2F)c1.
What is the InChIKey of N-(3-cyanophenyl)-2,6-difluorobenzenesulfonamide?
The InChIKey is VGMGSQJXESWUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N2O2S/c14-11-5-2-6-12(15)13(11)20(18,19)17-10-4-1-3-9(7-10)8-16/h1-7,17H.
What are the key properties of N-(3-cyanophenyl)-2,6-difluorobenzenesulfonamide?
N-(3-cyanophenyl)-2,6-difluorobenzenesulfonamide 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 N-(3-cyanophenyl)-2,6-difluorobenzenesulfonamide is sourced from PubChem (CID 3712473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).