3-cyano-N-(2,4-dichlorophenyl)-4-fluorobenzenesulfonamide

C13H7Cl2FN2O2S — CID 63235815

IUPAC3-cyano-N-(2,4-dichlorophenyl)-4-fluorobenzenesulfonamide
SMILESN#Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)ccc1F
InChIInChI=1S/C13H7Cl2FN2O2S/c14-9-1-4-13(11(15)6-9)18-21(19,20)10-2-3-12(16)8(5-10)7-17/h1-6,18H
InChIKeyKVTNRFOLNMYIHJ-UHFFFAOYSA-N
MW345.18 g/mol
LogP3.80
Rot. Bonds3

About 3-cyano-N-(2,4-dichlorophenyl)-4-fluorobenzenesulfonamide

3-cyano-N-(2,4-dichlorophenyl)-4-fluorobenzenesulfonamide (PubChem CID 63235815) has the molecular formula C13H7Cl2FN2O2S and a molecular weight of 345.18 g/mol. Its IUPAC name is 3-cyano-N-(2,4-dichlorophenyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-(2,4-dichlorophenyl)-4-fluorobenzenesulfonamide
PubChem CID63235815
Molecular FormulaC13H7Cl2FN2O2S
Molecular Weight345.18 g/mol
Exact Mass343.96
IUPAC Name3-cyano-N-(2,4-dichlorophenyl)-4-fluorobenzenesulfonamide
SMILESN#Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)ccc1F
InChIInChI=1S/C13H7Cl2FN2O2S/c14-9-1-4-13(11(15)6-9)18-21(19,20)10-2-3-12(16)8(5-10)7-17/h1-6,18H
InChIKeyKVTNRFOLNMYIHJ-UHFFFAOYSA-N
XLogP3.80
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.18
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4-fluorophenyl)-3-cyano-4-fluorobenzenesulfonamide
CID 63235952
3-cyano-N-(2,3-difluorophenyl)-4-fluorobenzenesulfonamide
CID 63235820
3-cyano-4-fluorobenzenesulfonohydrazide
CID 63288067
N-(2-bromophenyl)-3-cyano-4-fluorobenzenesulfonamide
CID 63236123
N-(2-bromo-4-chlorophenyl)-3-chloro-4-cyanobenzenesulfonamide
CID 115701867
3-chloro-4-cyano-N-(2,5-difluorophenyl)benzenesulfonamide
CID 115588628
N-(2-amino-5-methylphenyl)-3-cyano-4-fluorobenzenesulfonamide
CID 115912283
3-chloro-N-(2,4-dichlorophenyl)benzenesulfonamide
CID 26952629
3-chloro-N-(2-chloro-4-methylphenyl)-4-cyanobenzenesulfonamide
CID 115588624
3-bromo-4-chloro-N-(5-chloro-2-cyanophenyl)benzenesulfonamide
CID 106605832
3,4-dichloro-N-(2-cyano-4-fluorophenyl)benzenesulfonamide
CID 82682816
3-chloro-4-cyano-N-(2-fluorophenyl)benzenesulfonamide
CID 47309192

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(2,4-dichlorophenyl)-4-fluorobenzenesulfonamide?
The IUPAC name of 3-cyano-N-(2,4-dichlorophenyl)-4-fluorobenzenesulfonamide (CID 63235815) is 3-cyano-N-(2,4-dichlorophenyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for 3-cyano-N-(2,4-dichlorophenyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for 3-cyano-N-(2,4-dichlorophenyl)-4-fluorobenzenesulfonamide is N#Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)ccc1F.
What is the InChIKey of 3-cyano-N-(2,4-dichlorophenyl)-4-fluorobenzenesulfonamide?
The InChIKey is KVTNRFOLNMYIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2FN2O2S/c14-9-1-4-13(11(15)6-9)18-21(19,20)10-2-3-12(16)8(5-10)7-17/h1-6,18H.
What are the key properties of 3-cyano-N-(2,4-dichlorophenyl)-4-fluorobenzenesulfonamide?
3-cyano-N-(2,4-dichlorophenyl)-4-fluorobenzenesulfonamide has a molecular weight of 345.18 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(2,4-dichlorophenyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 63235815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).