N-(2-cyano-4-fluorophenyl)-2,3-difluorobenzenesulfonamide

C13H7F3N2O2S — CID 75499452

IUPACN-(2-cyano-4-fluorophenyl)-2,3-difluorobenzenesulfonamide
SMILESN#Cc1cc(F)ccc1NS(=O)(=O)c1cccc(F)c1F
InChIInChI=1S/C13H7F3N2O2S/c14-9-4-5-11(8(6-9)7-17)18-21(19,20)12-3-1-2-10(15)13(12)16/h1-6,18H
InChIKeyLIYRPCLCDNZOJA-UHFFFAOYSA-N
MW312.27 g/mol
LogP2.78
Rot. Bonds3

About N-(2-cyano-4-fluorophenyl)-2,3-difluorobenzenesulfonamide

N-(2-cyano-4-fluorophenyl)-2,3-difluorobenzenesulfonamide (PubChem CID 75499452) has the molecular formula C13H7F3N2O2S and a molecular weight of 312.27 g/mol. Its IUPAC name is N-(2-cyano-4-fluorophenyl)-2,3-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-cyano-4-fluorophenyl)-2,3-difluorobenzenesulfonamide
PubChem CID75499452
Molecular FormulaC13H7F3N2O2S
Molecular Weight312.27 g/mol
Exact Mass312.02
IUPAC NameN-(2-cyano-4-fluorophenyl)-2,3-difluorobenzenesulfonamide
SMILESN#Cc1cc(F)ccc1NS(=O)(=O)c1cccc(F)c1F
InChIInChI=1S/C13H7F3N2O2S/c14-9-4-5-11(8(6-9)7-17)18-21(19,20)12-3-1-2-10(15)13(12)16/h1-6,18H
InChIKeyLIYRPCLCDNZOJA-UHFFFAOYSA-N
XLogP2.78
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.27
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyano-4-fluorophenyl)-2-fluorobenzenesulfonamide
CID 82015576
2-chloro-N-(2-cyano-4-fluorophenyl)-5-fluorobenzenesulfonamide
CID 115972540
2,3-difluoro-N-(5-fluoro-2-hydroxyphenyl)benzenesulfonamide
CID 71975700
2,5-dibromo-N-(2-cyano-4-fluorophenyl)benzenesulfonamide
CID 82684208
2-(2,3-difluoroanilino)-5-fluorobenzonitrile
CID 55233913
2-cyano-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 2579215
N-(2-chloro-4-fluorophenyl)-2-cyanobenzenesulfonamide
CID 26969917
N-(2-amino-4-fluorophenyl)-2-cyanobenzenesulfonamide
CID 28522075
3,4-dichloro-N-(2-cyano-4-fluorophenyl)benzenesulfonamide
CID 82682816
2-cyano-1-(diethylsulfamoylamino)-4-fluorobenzene
CID 82015510
2-amino-N-(2,4-difluorophenyl)-3-fluorobenzenesulfonamide
CID 62058440
3-cyano-N-(2,3-difluorophenyl)-4-fluorobenzenesulfonamide
CID 63235820

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-4-fluorophenyl)-2,3-difluorobenzenesulfonamide?
The IUPAC name of N-(2-cyano-4-fluorophenyl)-2,3-difluorobenzenesulfonamide (CID 75499452) is N-(2-cyano-4-fluorophenyl)-2,3-difluorobenzenesulfonamide.
What is the SMILES notation for N-(2-cyano-4-fluorophenyl)-2,3-difluorobenzenesulfonamide?
The canonical SMILES for N-(2-cyano-4-fluorophenyl)-2,3-difluorobenzenesulfonamide is N#Cc1cc(F)ccc1NS(=O)(=O)c1cccc(F)c1F.
What is the InChIKey of N-(2-cyano-4-fluorophenyl)-2,3-difluorobenzenesulfonamide?
The InChIKey is LIYRPCLCDNZOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F3N2O2S/c14-9-4-5-11(8(6-9)7-17)18-21(19,20)12-3-1-2-10(15)13(12)16/h1-6,18H.
What are the key properties of N-(2-cyano-4-fluorophenyl)-2,3-difluorobenzenesulfonamide?
N-(2-cyano-4-fluorophenyl)-2,3-difluorobenzenesulfonamide has a molecular weight of 312.27 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-4-fluorophenyl)-2,3-difluorobenzenesulfonamide is sourced from PubChem (CID 75499452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).