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

C13H8ClFN2O2S — CID 47309192

IUPAC3-chloro-4-cyano-N-(2-fluorophenyl)benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2ccccc2F)cc1Cl
InChIInChI=1S/C13H8ClFN2O2S/c14-11-7-10(6-5-9(11)8-16)20(18,19)17-13-4-2-1-3-12(13)15/h1-7,17H
InChIKeyCXDUKNSHQCYMIU-UHFFFAOYSA-N
MW310.74 g/mol
LogP3.15
Rot. Bonds3

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

3-chloro-4-cyano-N-(2-fluorophenyl)benzenesulfonamide (PubChem CID 47309192) has the molecular formula C13H8ClFN2O2S and a molecular weight of 310.74 g/mol. Its IUPAC name is 3-chloro-4-cyano-N-(2-fluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-cyano-N-(2-fluorophenyl)benzenesulfonamide
PubChem CID47309192
Molecular FormulaC13H8ClFN2O2S
Molecular Weight310.74 g/mol
Exact Mass310.00
IUPAC Name3-chloro-4-cyano-N-(2-fluorophenyl)benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2ccccc2F)cc1Cl
InChIInChI=1S/C13H8ClFN2O2S/c14-11-7-10(6-5-9(11)8-16)20(18,19)17-13-4-2-1-3-12(13)15/h1-7,17H
InChIKeyCXDUKNSHQCYMIU-UHFFFAOYSA-N
XLogP3.15
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.74
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(2-chlorophenyl)-4-cyanobenzenesulfonamide
CID 47309083
3-chloro-4-cyano-N-(2,5-difluorophenyl)benzenesulfonamide
CID 115588628
3-chloro-4-cyano-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 115588749
N-(2-bromo-4-chlorophenyl)-3-chloro-4-cyanobenzenesulfonamide
CID 115701867
3-chloro-N-(2-chloro-4-methylphenyl)-4-cyanobenzenesulfonamide
CID 115588624
3-chloro-N-(2-fluorophenyl)-4-methoxybenzenesulfonamide
CID 974272
4-chloro-3-cyano-N-(2-fluoro-5-phenylphenyl)benzenesulfonamide
CID 146600936
3-chloro-N-(4-chloro-3-pyridinyl)-4-cyanobenzenesulfonamide
CID 103745721
2-[(3-chloro-4-cyanophenyl)sulfonylamino]-N-cyclopropylbenzamide
CID 87026587
3-cyano-N-(2,4-dichlorophenyl)-4-fluorobenzenesulfonamide
CID 63235815
3-cyano-N-(2,3-difluorophenyl)-4-fluorobenzenesulfonamide
CID 63235820
3-chloro-4-cyano-N-(3,4-dichlorophenyl)benzenesulfonamide
CID 115588612

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-cyano-N-(2-fluorophenyl)benzenesulfonamide?
The IUPAC name of 3-chloro-4-cyano-N-(2-fluorophenyl)benzenesulfonamide (CID 47309192) is 3-chloro-4-cyano-N-(2-fluorophenyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-cyano-N-(2-fluorophenyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-cyano-N-(2-fluorophenyl)benzenesulfonamide is N#Cc1ccc(S(=O)(=O)Nc2ccccc2F)cc1Cl.
What is the InChIKey of 3-chloro-4-cyano-N-(2-fluorophenyl)benzenesulfonamide?
The InChIKey is CXDUKNSHQCYMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN2O2S/c14-11-7-10(6-5-9(11)8-16)20(18,19)17-13-4-2-1-3-12(13)15/h1-7,17H.
What are the key properties of 3-chloro-4-cyano-N-(2-fluorophenyl)benzenesulfonamide?
3-chloro-4-cyano-N-(2-fluorophenyl)benzenesulfonamide has a molecular weight of 310.74 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-cyano-N-(2-fluorophenyl)benzenesulfonamide is sourced from PubChem (CID 47309192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).