3-chloro-N-(5-chloro-2-pyridinyl)-4-cyanobenzenesulfonamide

C12H7Cl2N3O2S — CID 115619551

IUPAC3-chloro-N-(5-chloro-2-pyridinyl)-4-cyanobenzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cn2)cc1Cl
InChIInChI=1S/C12H7Cl2N3O2S/c13-9-2-4-12(16-7-9)17-20(18,19)10-3-1-8(6-15)11(14)5-10/h1-5,7H,(H,16,17)
InChIKeyULLFENSVPXACEG-UHFFFAOYSA-N
MW328.18 g/mol
LogP3.06
Rot. Bonds3

About 3-chloro-N-(5-chloro-2-pyridinyl)-4-cyanobenzenesulfonamide

3-chloro-N-(5-chloro-2-pyridinyl)-4-cyanobenzenesulfonamide (PubChem CID 115619551) has the molecular formula C12H7Cl2N3O2S and a molecular weight of 328.18 g/mol. Its IUPAC name is 3-chloro-N-(5-chloro-2-pyridinyl)-4-cyanobenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(5-chloro-2-pyridinyl)-4-cyanobenzenesulfonamide
PubChem CID115619551
Molecular FormulaC12H7Cl2N3O2S
Molecular Weight328.18 g/mol
Exact Mass326.96
IUPAC Name3-chloro-N-(5-chloro-2-pyridinyl)-4-cyanobenzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cn2)cc1Cl
InChIInChI=1S/C12H7Cl2N3O2S/c13-9-2-4-12(16-7-9)17-20(18,19)10-3-1-8(6-15)11(14)5-10/h1-5,7H,(H,16,17)
InChIKeyULLFENSVPXACEG-UHFFFAOYSA-N
XLogP3.06
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.18
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dichloro-N-(5-chloro-2-pyridinyl)benzenesulfonamide
CID 74229116
N-(5-chloro-2-pyridinyl)-3,4-difluorobenzenesulfonamide
CID 19683191
3-chloro-4-cyano-N-(3,4-dichlorophenyl)benzenesulfonamide
CID 115588612
3-chloro-N-(3-chloropyrazin-2-yl)-4-cyanobenzenesulfonamide
CID 102990094
N-(5-bromo-2-pyridinyl)-3-cyano-4-fluorobenzenesulfonamide
CID 63289103
N-(2-bromo-4-chlorophenyl)-3-chloro-4-cyanobenzenesulfonamide
CID 115701867
3-chloro-4-cyano-N-(2,5-difluorophenyl)benzenesulfonamide
CID 115588628
3-chloro-N-(4-chloro-3-pyridinyl)-4-cyanobenzenesulfonamide
CID 103745721
3-chloro-N-(2-chlorophenyl)-4-cyanobenzenesulfonamide
CID 47309083
4-[(5-chloro-2-pyridinyl)sulfamoyl]benzoic acid
CID 6463370
3-chloro-4-cyano-N-(2-fluorophenyl)benzenesulfonamide
CID 47309192
N-(5-amino-2-pyridinyl)-4-cyano-3-methylbenzenesulfonamide
CID 106918913

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(5-chloro-2-pyridinyl)-4-cyanobenzenesulfonamide?
The IUPAC name of 3-chloro-N-(5-chloro-2-pyridinyl)-4-cyanobenzenesulfonamide (CID 115619551) is 3-chloro-N-(5-chloro-2-pyridinyl)-4-cyanobenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(5-chloro-2-pyridinyl)-4-cyanobenzenesulfonamide?
The canonical SMILES for 3-chloro-N-(5-chloro-2-pyridinyl)-4-cyanobenzenesulfonamide is N#Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cn2)cc1Cl.
What is the InChIKey of 3-chloro-N-(5-chloro-2-pyridinyl)-4-cyanobenzenesulfonamide?
The InChIKey is ULLFENSVPXACEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2N3O2S/c13-9-2-4-12(16-7-9)17-20(18,19)10-3-1-8(6-15)11(14)5-10/h1-5,7H,(H,16,17).
What are the key properties of 3-chloro-N-(5-chloro-2-pyridinyl)-4-cyanobenzenesulfonamide?
3-chloro-N-(5-chloro-2-pyridinyl)-4-cyanobenzenesulfonamide has a molecular weight of 328.18 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(5-chloro-2-pyridinyl)-4-cyanobenzenesulfonamide is sourced from PubChem (CID 115619551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).