3-chloro-N-(3-chloropyrazin-2-yl)-4-cyanobenzenesulfonamide

C11H6Cl2N4O2S — CID 102990094

IUPAC3-chloro-N-(3-chloropyrazin-2-yl)-4-cyanobenzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2nccnc2Cl)cc1Cl
InChIInChI=1S/C11H6Cl2N4O2S/c12-9-5-8(2-1-7(9)6-14)20(18,19)17-11-10(13)15-3-4-16-11/h1-5H,(H,16,17)
InChIKeyDWEJYSIWJKAREW-UHFFFAOYSA-N
MW329.17 g/mol
LogP2.46
Rot. Bonds3

About 3-chloro-N-(3-chloropyrazin-2-yl)-4-cyanobenzenesulfonamide

3-chloro-N-(3-chloropyrazin-2-yl)-4-cyanobenzenesulfonamide (PubChem CID 102990094) has the molecular formula C11H6Cl2N4O2S and a molecular weight of 329.17 g/mol. Its IUPAC name is 3-chloro-N-(3-chloropyrazin-2-yl)-4-cyanobenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(3-chloropyrazin-2-yl)-4-cyanobenzenesulfonamide
PubChem CID102990094
Molecular FormulaC11H6Cl2N4O2S
Molecular Weight329.17 g/mol
Exact Mass327.96
IUPAC Name3-chloro-N-(3-chloropyrazin-2-yl)-4-cyanobenzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2nccnc2Cl)cc1Cl
InChIInChI=1S/C11H6Cl2N4O2S/c12-9-5-8(2-1-7(9)6-14)20(18,19)17-11-10(13)15-3-4-16-11/h1-5H,(H,16,17)
InChIKeyDWEJYSIWJKAREW-UHFFFAOYSA-N
XLogP2.46
TPSA95.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.17
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-4-cyano-N-(3,4-dichlorophenyl)benzenesulfonamide
CID 115588612
3-chloro-N-(5-chloro-2-pyridinyl)-4-cyanobenzenesulfonamide
CID 115619551
3-chloro-N-(4-chloro-3-pyridinyl)-4-cyanobenzenesulfonamide
CID 103745721
3-chloro-N-(2-chlorophenyl)-4-cyanobenzenesulfonamide
CID 47309083
3-chloro-4-cyano-N-propan-2-ylbenzenesulfonamide
CID 112684851
N-(3-chloropyrazin-2-yl)-3-fluoro-4-nitrobenzenesulfonamide
CID 102989939
3-chloro-N-(2-chloro-4-methylphenyl)-4-cyanobenzenesulfonamide
CID 115588624
3-chloro-4-cyano-N-(2-fluorophenyl)benzenesulfonamide
CID 47309192
3-chloro-4-cyano-N-(2,6-dimethyl-3-pyridinyl)benzenesulfonamide
CID 115687718
3-chloro-4-cyano-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzenesulfonamide
CID 104826727
6-chloro-N-(3-chloro-4-cyanophenyl)pyridine-3-sulfonamide
CID 43236398
3-chloro-4-cyano-N-(2,5-difluorophenyl)benzenesulfonamide
CID 115588628

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-chloropyrazin-2-yl)-4-cyanobenzenesulfonamide?
The IUPAC name of 3-chloro-N-(3-chloropyrazin-2-yl)-4-cyanobenzenesulfonamide (CID 102990094) is 3-chloro-N-(3-chloropyrazin-2-yl)-4-cyanobenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(3-chloropyrazin-2-yl)-4-cyanobenzenesulfonamide?
The canonical SMILES for 3-chloro-N-(3-chloropyrazin-2-yl)-4-cyanobenzenesulfonamide is N#Cc1ccc(S(=O)(=O)Nc2nccnc2Cl)cc1Cl.
What is the InChIKey of 3-chloro-N-(3-chloropyrazin-2-yl)-4-cyanobenzenesulfonamide?
The InChIKey is DWEJYSIWJKAREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2N4O2S/c12-9-5-8(2-1-7(9)6-14)20(18,19)17-11-10(13)15-3-4-16-11/h1-5H,(H,16,17).
What are the key properties of 3-chloro-N-(3-chloropyrazin-2-yl)-4-cyanobenzenesulfonamide?
3-chloro-N-(3-chloropyrazin-2-yl)-4-cyanobenzenesulfonamide has a molecular weight of 329.17 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-chloropyrazin-2-yl)-4-cyanobenzenesulfonamide is sourced from PubChem (CID 102990094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).