2-chloro-N-(2-cyano-4-fluorophenyl)-5-fluorobenzenesulfonamide

C13H7ClF2N2O2S — CID 115972540

IUPAC2-chloro-N-(2-cyano-4-fluorophenyl)-5-fluorobenzenesulfonamide
SMILESN#Cc1cc(F)ccc1NS(=O)(=O)c1cc(F)ccc1Cl
InChIInChI=1S/C13H7ClF2N2O2S/c14-11-3-1-10(16)6-13(11)21(19,20)18-12-4-2-9(15)5-8(12)7-17/h1-6,18H
InChIKeyIJQOPXNGVRLLSW-UHFFFAOYSA-N
MW328.73 g/mol
LogP3.29
Rot. Bonds3

About 2-chloro-N-(2-cyano-4-fluorophenyl)-5-fluorobenzenesulfonamide

2-chloro-N-(2-cyano-4-fluorophenyl)-5-fluorobenzenesulfonamide (PubChem CID 115972540) has the molecular formula C13H7ClF2N2O2S and a molecular weight of 328.73 g/mol. Its IUPAC name is 2-chloro-N-(2-cyano-4-fluorophenyl)-5-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2-cyano-4-fluorophenyl)-5-fluorobenzenesulfonamide
PubChem CID115972540
Molecular FormulaC13H7ClF2N2O2S
Molecular Weight328.73 g/mol
Exact Mass327.99
IUPAC Name2-chloro-N-(2-cyano-4-fluorophenyl)-5-fluorobenzenesulfonamide
SMILESN#Cc1cc(F)ccc1NS(=O)(=O)c1cc(F)ccc1Cl
InChIInChI=1S/C13H7ClF2N2O2S/c14-11-3-1-10(16)6-13(11)21(19,20)18-12-4-2-9(15)5-8(12)7-17/h1-6,18H
InChIKeyIJQOPXNGVRLLSW-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

3,4-dichloro-N-(2-cyano-4-fluorophenyl)benzenesulfonamide
CID 82682816
N-(2-cyano-4-fluorophenyl)-2-fluorobenzenesulfonamide
CID 82015576
2,5-dibromo-N-(2-cyano-4-fluorophenyl)benzenesulfonamide
CID 82684208
N-(2-cyano-4-fluorophenyl)-2,3-difluorobenzenesulfonamide
CID 75499452
N-(2-chloro-4-fluorophenyl)-2-cyanobenzenesulfonamide
CID 26969917
N-(4-amino-2-chlorophenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105399440
2,5-dichloro-N-(2,4-difluorophenyl)benzenesulfonamide
CID 3702583
2,5-dichloro-N-(2-chloro-4-fluorophenyl)benzenesulfonamide
CID 26969901
4-bromo-N-(4-bromo-2-cyanophenyl)-2-chlorobenzenesulfonamide
CID 82695339
N-(4-amino-2-bromophenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105399526
2-amino-N-(2-chloro-4-cyanophenyl)-5-fluorobenzenesulfonamide
CID 107806945
N-(2-amino-4,5-dimethylphenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105399559

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-cyano-4-fluorophenyl)-5-fluorobenzenesulfonamide?
The IUPAC name of 2-chloro-N-(2-cyano-4-fluorophenyl)-5-fluorobenzenesulfonamide (CID 115972540) is 2-chloro-N-(2-cyano-4-fluorophenyl)-5-fluorobenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(2-cyano-4-fluorophenyl)-5-fluorobenzenesulfonamide?
The canonical SMILES for 2-chloro-N-(2-cyano-4-fluorophenyl)-5-fluorobenzenesulfonamide is N#Cc1cc(F)ccc1NS(=O)(=O)c1cc(F)ccc1Cl.
What is the InChIKey of 2-chloro-N-(2-cyano-4-fluorophenyl)-5-fluorobenzenesulfonamide?
The InChIKey is IJQOPXNGVRLLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF2N2O2S/c14-11-3-1-10(16)6-13(11)21(19,20)18-12-4-2-9(15)5-8(12)7-17/h1-6,18H.
What are the key properties of 2-chloro-N-(2-cyano-4-fluorophenyl)-5-fluorobenzenesulfonamide?
2-chloro-N-(2-cyano-4-fluorophenyl)-5-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 2-chloro-N-(2-cyano-4-fluorophenyl)-5-fluorobenzenesulfonamide is sourced from PubChem (CID 115972540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).