N-(3-cyanophenyl)-1,1-difluoromethanesulfonamide

C8H6F2N2O2S — CID 28607007

IUPACN-(3-cyanophenyl)-1,1-difluoromethanesulfonamide
SMILESN#Cc1cccc(NS(=O)(=O)C(F)F)c1
InChIInChI=1S/C8H6F2N2O2S/c9-8(10)15(13,14)12-7-3-1-2-6(4-7)5-11/h1-4,8,12H
InChIKeyKWMKZNZEWRMROM-UHFFFAOYSA-N
MW232.21 g/mol
LogP1.52
Rot. Bonds3

About N-(3-cyanophenyl)-1,1-difluoromethanesulfonamide

N-(3-cyanophenyl)-1,1-difluoromethanesulfonamide (PubChem CID 28607007) has the molecular formula C8H6F2N2O2S and a molecular weight of 232.21 g/mol. Its IUPAC name is N-(3-cyanophenyl)-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-1,1-difluoromethanesulfonamide
PubChem CID28607007
Molecular FormulaC8H6F2N2O2S
Molecular Weight232.21 g/mol
Exact Mass232.01
IUPAC NameN-(3-cyanophenyl)-1,1-difluoromethanesulfonamide
SMILESN#Cc1cccc(NS(=O)(=O)C(F)F)c1
InChIInChI=1S/C8H6F2N2O2S/c9-8(10)15(13,14)12-7-3-1-2-6(4-7)5-11/h1-4,8,12H
InChIKeyKWMKZNZEWRMROM-UHFFFAOYSA-N
XLogP1.52
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyano-3-(dimethylsulfamoylamino)benzene
CID 28788421
N-(3-cyanophenyl)-2,6-difluorobenzenesulfonamide
CID 3712473
1-cyano-3-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
CID 54947831
N-(3-cyanophenyl)-2-hydroxyethanesulfonamide
CID 79026439
N-(2-chloro-4-cyanophenyl)-1,1-difluoromethanesulfonamide
CID 107808248
2,6-dichloro-N-(3-cyanophenyl)benzenesulfonamide
CID 26979574
1-cyano-3-(diethylsulfamoylamino)benzene
CID 28785061
3-(2,2-difluoroethylamino)benzonitrile
CID 60922387
4-bromo-N-(3-cyanophenyl)-2-fluorobenzenesulfonamide
CID 116527479
2-chloro-N-(3-cyanophenyl)-4-fluorobenzenesulfonamide
CID 47154362
4-amino-N-(3-cyanophenyl)-2,6-dimethylbenzenesulfonamide
CID 79556049
N-(3-cyanophenyl)-2,5-dimethylbenzenesulfonamide
CID 2098329

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-1,1-difluoromethanesulfonamide?
The IUPAC name of N-(3-cyanophenyl)-1,1-difluoromethanesulfonamide (CID 28607007) is N-(3-cyanophenyl)-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-(3-cyanophenyl)-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-(3-cyanophenyl)-1,1-difluoromethanesulfonamide is N#Cc1cccc(NS(=O)(=O)C(F)F)c1.
What is the InChIKey of N-(3-cyanophenyl)-1,1-difluoromethanesulfonamide?
The InChIKey is KWMKZNZEWRMROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N2O2S/c9-8(10)15(13,14)12-7-3-1-2-6(4-7)5-11/h1-4,8,12H.
What are the key properties of N-(3-cyanophenyl)-1,1-difluoromethanesulfonamide?
N-(3-cyanophenyl)-1,1-difluoromethanesulfonamide has a molecular weight of 232.21 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 28607007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).