N-(2-chloro-4-fluorophenyl)-3-cyano-4-fluorobenzenesulfonamide

C13H7ClF2N2O2S — CID 63235952

IUPACN-(2-chloro-4-fluorophenyl)-3-cyano-4-fluorobenzenesulfonamide
SMILESN#Cc1cc(S(=O)(=O)Nc2ccc(F)cc2Cl)ccc1F
InChIInChI=1S/C13H7ClF2N2O2S/c14-11-6-9(15)1-4-13(11)18-21(19,20)10-2-3-12(16)8(5-10)7-17/h1-6,18H
InChIKeyCBJGPWUXVHGYGR-UHFFFAOYSA-N
MW328.73 g/mol
LogP3.29
Rot. Bonds3

About N-(2-chloro-4-fluorophenyl)-3-cyano-4-fluorobenzenesulfonamide

N-(2-chloro-4-fluorophenyl)-3-cyano-4-fluorobenzenesulfonamide (PubChem CID 63235952) has the molecular formula C13H7ClF2N2O2S and a molecular weight of 328.73 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-3-cyano-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-3-cyano-4-fluorobenzenesulfonamide
PubChem CID63235952
Molecular FormulaC13H7ClF2N2O2S
Molecular Weight328.73 g/mol
Exact Mass327.99
IUPAC NameN-(2-chloro-4-fluorophenyl)-3-cyano-4-fluorobenzenesulfonamide
SMILESN#Cc1cc(S(=O)(=O)Nc2ccc(F)cc2Cl)ccc1F
InChIInChI=1S/C13H7ClF2N2O2S/c14-11-6-9(15)1-4-13(11)18-21(19,20)10-2-3-12(16)8(5-10)7-17/h1-6,18H
InChIKeyCBJGPWUXVHGYGR-UHFFFAOYSA-N
XLogP3.29
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.73
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyano-N-(2,4-dichlorophenyl)-4-fluorobenzenesulfonamide
CID 63235815
3-chloro-4-cyano-N-(2,5-difluorophenyl)benzenesulfonamide
CID 115588628
3,4-dichloro-N-(2-cyano-4-fluorophenyl)benzenesulfonamide
CID 82682816
3,4-dichloro-N-(2-chloro-4-fluorophenyl)benzenesulfonamide
CID 26969900
N-(2-chloro-4-fluorophenyl)-2-cyanobenzenesulfonamide
CID 26969917
3-cyano-N-(2,3-difluorophenyl)-4-fluorobenzenesulfonamide
CID 63235820
N-(2-bromophenyl)-3-cyano-4-fluorobenzenesulfonamide
CID 63236123
4-chloro-3-cyano-N-(2-fluoro-5-phenylphenyl)benzenesulfonamide
CID 146600936
N-(2-amino-5-methylphenyl)-3-cyano-4-fluorobenzenesulfonamide
CID 115912283
3-cyano-4-fluorobenzenesulfonohydrazide
CID 63288067
3-chloro-N-(2-chloro-4-methylphenyl)-4-cyanobenzenesulfonamide
CID 115588624
3-chloro-4-cyano-N-(2-fluorophenyl)benzenesulfonamide
CID 47309192

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-3-cyano-4-fluorobenzenesulfonamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-3-cyano-4-fluorobenzenesulfonamide (CID 63235952) is N-(2-chloro-4-fluorophenyl)-3-cyano-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-3-cyano-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-3-cyano-4-fluorobenzenesulfonamide is N#Cc1cc(S(=O)(=O)Nc2ccc(F)cc2Cl)ccc1F.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-3-cyano-4-fluorobenzenesulfonamide?
The InChIKey is CBJGPWUXVHGYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF2N2O2S/c14-11-6-9(15)1-4-13(11)18-21(19,20)10-2-3-12(16)8(5-10)7-17/h1-6,18H.
What are the key properties of N-(2-chloro-4-fluorophenyl)-3-cyano-4-fluorobenzenesulfonamide?
N-(2-chloro-4-fluorophenyl)-3-cyano-4-fluorobenzenesulfonamide has a molecular weight of 328.73 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-3-cyano-4-fluorobenzenesulfonamide is sourced from PubChem (CID 63235952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).