3-chloro-5-cyano-N-(2,4-difluorophenyl)benzenesulfonamide

C13H7ClF2N2O2S — CID 146601038

IUPAC3-chloro-5-cyano-N-(2,4-difluorophenyl)benzenesulfonamide
SMILESN#Cc1cc(Cl)cc(S(=O)(=O)Nc2ccc(F)cc2F)c1
InChIInChI=1S/C13H7ClF2N2O2S/c14-9-3-8(7-17)4-11(5-9)21(19,20)18-13-2-1-10(15)6-12(13)16/h1-6,18H
InChIKeySARLLARIOZHQQU-UHFFFAOYSA-N
MW328.73 g/mol
LogP3.29
Rot. Bonds3

About 3-chloro-5-cyano-N-(2,4-difluorophenyl)benzenesulfonamide

3-chloro-5-cyano-N-(2,4-difluorophenyl)benzenesulfonamide (PubChem CID 146601038) has the molecular formula C13H7ClF2N2O2S and a molecular weight of 328.73 g/mol. Its IUPAC name is 3-chloro-5-cyano-N-(2,4-difluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-5-cyano-N-(2,4-difluorophenyl)benzenesulfonamide
PubChem CID146601038
Molecular FormulaC13H7ClF2N2O2S
Molecular Weight328.73 g/mol
Exact Mass327.99
IUPAC Name3-chloro-5-cyano-N-(2,4-difluorophenyl)benzenesulfonamide
SMILESN#Cc1cc(Cl)cc(S(=O)(=O)Nc2ccc(F)cc2F)c1
InChIInChI=1S/C13H7ClF2N2O2S/c14-9-3-8(7-17)4-11(5-9)21(19,20)18-13-2-1-10(15)6-12(13)16/h1-6,18H
InChIKeySARLLARIOZHQQU-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-chloro-5-[(2,4-difluorophenyl)methylsulfonyl]benzonitrile
CID 158690266
N-(4-bromo-2-fluorophenyl)-3,5-dichlorobenzenesulfonamide
CID 28829056
N-(2-chloro-4-cyanophenyl)-2,4-difluorobenzenesulfonamide
CID 103791874
N-(2-chloro-4-fluorophenyl)-3-cyano-4-fluorobenzenesulfonamide
CID 63235952
3-bromo-4-chloro-N-(4-cyano-2-fluorophenyl)benzenesulfonamide
CID 106605845
4-chloro-N-(2,4-difluorophenyl)-2-fluorobenzenesulfonamide
CID 4968602
2,5-dichloro-N-(2,4-difluorophenyl)benzenesulfonamide
CID 3702583
N-(2-bromo-4-fluorophenyl)-4-cyanobenzenesulfonamide
CID 3852570
N-[4-cyano-2-[(2,4-difluorophenyl)sulfonylamino]phenyl]-2,4-difluorobenzenesulfonamide
CID 70140206
3-chloro-4-cyano-N-(2,5-difluorophenyl)benzenesulfonamide
CID 115588628
N-(2,4-difluorophenyl)-2,4-difluorobenzenesulfonamide
CID 3312178
3-cyano-N-(2,4,5-trifluorophenyl)benzenesulfonamide
CID 62815564

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-cyano-N-(2,4-difluorophenyl)benzenesulfonamide?
The IUPAC name of 3-chloro-5-cyano-N-(2,4-difluorophenyl)benzenesulfonamide (CID 146601038) is 3-chloro-5-cyano-N-(2,4-difluorophenyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-5-cyano-N-(2,4-difluorophenyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-5-cyano-N-(2,4-difluorophenyl)benzenesulfonamide is N#Cc1cc(Cl)cc(S(=O)(=O)Nc2ccc(F)cc2F)c1.
What is the InChIKey of 3-chloro-5-cyano-N-(2,4-difluorophenyl)benzenesulfonamide?
The InChIKey is SARLLARIOZHQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF2N2O2S/c14-9-3-8(7-17)4-11(5-9)21(19,20)18-13-2-1-10(15)6-12(13)16/h1-6,18H.
What are the key properties of 3-chloro-5-cyano-N-(2,4-difluorophenyl)benzenesulfonamide?
3-chloro-5-cyano-N-(2,4-difluorophenyl)benzenesulfonamide 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 3-chloro-5-cyano-N-(2,4-difluorophenyl)benzenesulfonamide is sourced from PubChem (CID 146601038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).