2-chloro-5-cyano-N-pyrazin-2-ylbenzenesulfonamide

C11H7ClN4O2S — CID 80704266

IUPAC2-chloro-5-cyano-N-pyrazin-2-ylbenzenesulfonamide
SMILESN#Cc1ccc(Cl)c(S(=O)(=O)Nc2cnccn2)c1
InChIInChI=1S/C11H7ClN4O2S/c12-9-2-1-8(6-13)5-10(9)19(17,18)16-11-7-14-3-4-15-11/h1-5,7H,(H,15,16)
InChIKeyOONCDGRYNOCJFX-UHFFFAOYSA-N
MW294.72 g/mol
LogP1.80
Rot. Bonds3

About 2-chloro-5-cyano-N-pyrazin-2-ylbenzenesulfonamide

2-chloro-5-cyano-N-pyrazin-2-ylbenzenesulfonamide (PubChem CID 80704266) has the molecular formula C11H7ClN4O2S and a molecular weight of 294.72 g/mol. Its IUPAC name is 2-chloro-5-cyano-N-pyrazin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-cyano-N-pyrazin-2-ylbenzenesulfonamide
PubChem CID80704266
Molecular FormulaC11H7ClN4O2S
Molecular Weight294.72 g/mol
Exact Mass294.00
IUPAC Name2-chloro-5-cyano-N-pyrazin-2-ylbenzenesulfonamide
SMILESN#Cc1ccc(Cl)c(S(=O)(=O)Nc2cnccn2)c1
InChIInChI=1S/C11H7ClN4O2S/c12-9-2-1-8(6-13)5-10(9)19(17,18)16-11-7-14-3-4-15-11/h1-5,7H,(H,15,16)
InChIKeyOONCDGRYNOCJFX-UHFFFAOYSA-N
XLogP1.80
TPSA95.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.72
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(4-chloro-2-pyridinyl)-5-cyanobenzenesulfonamide
CID 104821746
2-chloro-5-cyano-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 80704923
N-(3-amino-4-pyridinyl)-2-chloro-5-cyanobenzenesulfonamide
CID 80704826
2-chloro-5-cyano-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 114387982
2-chloro-N-(6-chloro-3-pyridinyl)-5-cyanobenzenesulfonamide
CID 104922549
2-chloro-5-cyano-N-(1H-imidazol-2-yl)benzenesulfonamide
CID 80703875
2-chloro-5-cyano-N-(2,5-dichlorophenyl)benzenesulfonamide
CID 80696701
2-chloro-5-cyano-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 104620941
2-chloro-5-cyano-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 114956174
2-chloro-5-cyano-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 80697531
2-chloro-N-(3-chloro-4-methylphenyl)-5-cyanobenzenesulfonamide
CID 80696837
2-chloro-5-cyano-N-ethylbenzenesulfonamide
CID 80704238

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-cyano-N-pyrazin-2-ylbenzenesulfonamide?
The IUPAC name of 2-chloro-5-cyano-N-pyrazin-2-ylbenzenesulfonamide (CID 80704266) is 2-chloro-5-cyano-N-pyrazin-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-5-cyano-N-pyrazin-2-ylbenzenesulfonamide?
The canonical SMILES for 2-chloro-5-cyano-N-pyrazin-2-ylbenzenesulfonamide is N#Cc1ccc(Cl)c(S(=O)(=O)Nc2cnccn2)c1.
What is the InChIKey of 2-chloro-5-cyano-N-pyrazin-2-ylbenzenesulfonamide?
The InChIKey is OONCDGRYNOCJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN4O2S/c12-9-2-1-8(6-13)5-10(9)19(17,18)16-11-7-14-3-4-15-11/h1-5,7H,(H,15,16).
What are the key properties of 2-chloro-5-cyano-N-pyrazin-2-ylbenzenesulfonamide?
2-chloro-5-cyano-N-pyrazin-2-ylbenzenesulfonamide has a molecular weight of 294.72 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-cyano-N-pyrazin-2-ylbenzenesulfonamide is sourced from PubChem (CID 80704266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).