N-(3-cyano-4-fluorophenyl)-1,1-difluoromethanesulfonamide

C8H5F3N2O2S — CID 62315969

IUPACN-(3-cyano-4-fluorophenyl)-1,1-difluoromethanesulfonamide
SMILESN#Cc1cc(NS(=O)(=O)C(F)F)ccc1F
InChIInChI=1S/C8H5F3N2O2S/c9-7-2-1-6(3-5(7)4-12)13-16(14,15)8(10)11/h1-3,8,13H
InChIKeyLRCKRGWZCHHQIT-UHFFFAOYSA-N
MW250.20 g/mol
LogP1.66
Rot. Bonds3

About N-(3-cyano-4-fluorophenyl)-1,1-difluoromethanesulfonamide

N-(3-cyano-4-fluorophenyl)-1,1-difluoromethanesulfonamide (PubChem CID 62315969) has the molecular formula C8H5F3N2O2S and a molecular weight of 250.20 g/mol. Its IUPAC name is N-(3-cyano-4-fluorophenyl)-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-(3-cyano-4-fluorophenyl)-1,1-difluoromethanesulfonamide
PubChem CID62315969
Molecular FormulaC8H5F3N2O2S
Molecular Weight250.20 g/mol
Exact Mass250.00
IUPAC NameN-(3-cyano-4-fluorophenyl)-1,1-difluoromethanesulfonamide
SMILESN#Cc1cc(NS(=O)(=O)C(F)F)ccc1F
InChIInChI=1S/C8H5F3N2O2S/c9-7-2-1-6(3-5(7)4-12)13-16(14,15)8(10)11/h1-3,8,13H
InChIKeyLRCKRGWZCHHQIT-UHFFFAOYSA-N
XLogP1.66
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.20
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-cyano-4-fluorophenyl)propane-2-sulfonamide
CID 62317570
1-bromo-N-(3-cyano-4-fluorophenyl)methanesulfonamide
CID 83093556
N-(3-cyanophenyl)-1,1-difluoromethanesulfonamide
CID 28607007
4-amino-N-(3-cyano-4-fluorophenyl)-3-fluorobenzenesulfonamide
CID 82845927
5-bromo-N-(3-cyano-4-fluorophenyl)thiophene-2-sulfonamide
CID 62317032
N-(3-cyano-4-fluorophenyl)-4-fluoro-2-methylbenzenesulfonamide
CID 62317386
N-(3-cyano-4-fluorophenyl)-2-(methylamino)benzenesulfonamide
CID 62317403
N-(3-cyano-4-fluorophenyl)-1-(3-fluorophenyl)methanesulfonamide
CID 154748898
5-(2-ethylsulfonylethylamino)-2-fluorobenzonitrile
CID 62316635
5-bromo-N-(3-cyano-4-fluorophenyl)-2-methylbenzenesulfonamide
CID 62316181
N-(2-cyanophenyl)-1,1-difluoromethanesulfonamide
CID 28607000
N-(3-cyano-4-fluorophenyl)-1-methylimidazole-4-sulfonamide
CID 62373465

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-fluorophenyl)-1,1-difluoromethanesulfonamide?
The IUPAC name of N-(3-cyano-4-fluorophenyl)-1,1-difluoromethanesulfonamide (CID 62315969) is N-(3-cyano-4-fluorophenyl)-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-(3-cyano-4-fluorophenyl)-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-(3-cyano-4-fluorophenyl)-1,1-difluoromethanesulfonamide is N#Cc1cc(NS(=O)(=O)C(F)F)ccc1F.
What is the InChIKey of N-(3-cyano-4-fluorophenyl)-1,1-difluoromethanesulfonamide?
The InChIKey is LRCKRGWZCHHQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2O2S/c9-7-2-1-6(3-5(7)4-12)13-16(14,15)8(10)11/h1-3,8,13H.
What are the key properties of N-(3-cyano-4-fluorophenyl)-1,1-difluoromethanesulfonamide?
N-(3-cyano-4-fluorophenyl)-1,1-difluoromethanesulfonamide has a molecular weight of 250.20 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-fluorophenyl)-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 62315969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).