2-chloro-5-cyano-N-(1H-imidazol-2-yl)benzenesulfonamide

C10H7ClN4O2S — CID 80703875

IUPAC2-chloro-5-cyano-N-(1H-imidazol-2-yl)benzenesulfonamide
SMILESN#Cc1ccc(Cl)c(S(=O)(=O)Nc2ncc[nH]2)c1
InChIInChI=1S/C10H7ClN4O2S/c11-8-2-1-7(6-12)5-9(8)18(16,17)15-10-13-3-4-14-10/h1-5H,(H2,13,14,15)
InChIKeyWGAWHGYJHAVMJC-UHFFFAOYSA-N
MW282.71 g/mol
LogP1.74
Rot. Bonds3

About 2-chloro-5-cyano-N-(1H-imidazol-2-yl)benzenesulfonamide

2-chloro-5-cyano-N-(1H-imidazol-2-yl)benzenesulfonamide (PubChem CID 80703875) has the molecular formula C10H7ClN4O2S and a molecular weight of 282.71 g/mol. Its IUPAC name is 2-chloro-5-cyano-N-(1H-imidazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-cyano-N-(1H-imidazol-2-yl)benzenesulfonamide
PubChem CID80703875
Molecular FormulaC10H7ClN4O2S
Molecular Weight282.71 g/mol
Exact Mass282.00
IUPAC Name2-chloro-5-cyano-N-(1H-imidazol-2-yl)benzenesulfonamide
SMILESN#Cc1ccc(Cl)c(S(=O)(=O)Nc2ncc[nH]2)c1
InChIInChI=1S/C10H7ClN4O2S/c11-8-2-1-7(6-12)5-9(8)18(16,17)15-10-13-3-4-14-10/h1-5H,(H2,13,14,15)
InChIKeyWGAWHGYJHAVMJC-UHFFFAOYSA-N
XLogP1.74
TPSA98.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.71
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(4-chloro-2-pyridinyl)-5-cyanobenzenesulfonamide
CID 104821746
2-chloro-5-cyano-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 114387982
2-chloro-5-cyano-N-pyrazin-2-ylbenzenesulfonamide
CID 80704266
2-chloro-N-(6-chloro-3-pyridinyl)-5-cyanobenzenesulfonamide
CID 104922549
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-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 80704923
2-chloro-N-(4-chloro-2-hydroxyphenyl)-5-cyanobenzenesulfonamide
CID 81422590
N-(3-amino-4-pyridinyl)-2-chloro-5-cyanobenzenesulfonamide
CID 80704826
2-chloro-5-cyano-N-(3-ethynylphenyl)benzenesulfonamide
CID 80696556
2-chloro-N-(3-chloro-4-methylphenyl)-5-cyanobenzenesulfonamide
CID 80696837
5-(3-aminoprop-1-ynyl)-N-(1H-imidazol-2-yl)-2-methylbenzenesulfonamide
CID 63564512

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-cyano-N-(1H-imidazol-2-yl)benzenesulfonamide?
The IUPAC name of 2-chloro-5-cyano-N-(1H-imidazol-2-yl)benzenesulfonamide (CID 80703875) is 2-chloro-5-cyano-N-(1H-imidazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-cyano-N-(1H-imidazol-2-yl)benzenesulfonamide?
The canonical SMILES for 2-chloro-5-cyano-N-(1H-imidazol-2-yl)benzenesulfonamide is N#Cc1ccc(Cl)c(S(=O)(=O)Nc2ncc[nH]2)c1.
What is the InChIKey of 2-chloro-5-cyano-N-(1H-imidazol-2-yl)benzenesulfonamide?
The InChIKey is WGAWHGYJHAVMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN4O2S/c11-8-2-1-7(6-12)5-9(8)18(16,17)15-10-13-3-4-14-10/h1-5H,(H2,13,14,15).
What are the key properties of 2-chloro-5-cyano-N-(1H-imidazol-2-yl)benzenesulfonamide?
2-chloro-5-cyano-N-(1H-imidazol-2-yl)benzenesulfonamide has a molecular weight of 282.71 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-cyano-N-(1H-imidazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 80703875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).