N-(2-cyano-4-fluorophenyl)-2-fluorobenzenesulfonamide

C13H8F2N2O2S — CID 82015576

IUPACN-(2-cyano-4-fluorophenyl)-2-fluorobenzenesulfonamide
SMILESN#Cc1cc(F)ccc1NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C13H8F2N2O2S/c14-10-5-6-12(9(7-10)8-16)17-20(18,19)13-4-2-1-3-11(13)15/h1-7,17H
InChIKeyUYWCMGOMFLVWIX-UHFFFAOYSA-N
MW294.28 g/mol
LogP2.64
Rot. Bonds3

About N-(2-cyano-4-fluorophenyl)-2-fluorobenzenesulfonamide

N-(2-cyano-4-fluorophenyl)-2-fluorobenzenesulfonamide (PubChem CID 82015576) has the molecular formula C13H8F2N2O2S and a molecular weight of 294.28 g/mol. Its IUPAC name is N-(2-cyano-4-fluorophenyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-cyano-4-fluorophenyl)-2-fluorobenzenesulfonamide
PubChem CID82015576
Molecular FormulaC13H8F2N2O2S
Molecular Weight294.28 g/mol
Exact Mass294.03
IUPAC NameN-(2-cyano-4-fluorophenyl)-2-fluorobenzenesulfonamide
SMILESN#Cc1cc(F)ccc1NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C13H8F2N2O2S/c14-10-5-6-12(9(7-10)8-16)17-20(18,19)13-4-2-1-3-11(13)15/h1-7,17H
InChIKeyUYWCMGOMFLVWIX-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

N-(2-cyano-4-fluorophenyl)-2,3-difluorobenzenesulfonamide
CID 75499452
2-chloro-N-(2-cyano-4-fluorophenyl)-5-fluorobenzenesulfonamide
CID 115972540
N-(2-amino-4-fluorophenyl)-2-cyanobenzenesulfonamide
CID 28522075
2,5-dibromo-N-(2-cyano-4-fluorophenyl)benzenesulfonamide
CID 82684208
N-(2-chloro-4-fluorophenyl)-2-cyanobenzenesulfonamide
CID 26969917
N-(2-bromo-4-fluorophenyl)-2-fluorobenzenesulfonamide
CID 28939220
2-fluoro-N-[4-fluoro-2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3773683
2-cyano-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 2579215
3,4-dichloro-N-(2-cyano-4-fluorophenyl)benzenesulfonamide
CID 82682816
N-[4-cyano-2-[(2,4-difluorophenyl)sulfonylamino]phenyl]-2,4-difluorobenzenesulfonamide
CID 70140206
2-cyano-1-(diethylsulfamoylamino)-4-fluorobenzene
CID 82015510
N-(2-cyano-6-methoxyphenyl)-2-fluorobenzenesulfonamide
CID 107467349

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-4-fluorophenyl)-2-fluorobenzenesulfonamide?
The IUPAC name of N-(2-cyano-4-fluorophenyl)-2-fluorobenzenesulfonamide (CID 82015576) is N-(2-cyano-4-fluorophenyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-(2-cyano-4-fluorophenyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for N-(2-cyano-4-fluorophenyl)-2-fluorobenzenesulfonamide is N#Cc1cc(F)ccc1NS(=O)(=O)c1ccccc1F.
What is the InChIKey of N-(2-cyano-4-fluorophenyl)-2-fluorobenzenesulfonamide?
The InChIKey is UYWCMGOMFLVWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N2O2S/c14-10-5-6-12(9(7-10)8-16)17-20(18,19)13-4-2-1-3-11(13)15/h1-7,17H.
What are the key properties of N-(2-cyano-4-fluorophenyl)-2-fluorobenzenesulfonamide?
N-(2-cyano-4-fluorophenyl)-2-fluorobenzenesulfonamide 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-(2-cyano-4-fluorophenyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 82015576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).