5-[2-(benzimidazol-1-yl)acetyl]-2,4-dichlorobenzenesulfonamide

C15H11Cl2N3O3S — CID 126508232

IUPAC5-[2-(benzimidazol-1-yl)acetyl]-2,4-dichlorobenzenesulfonamide
SMILESNS(=O)(=O)c1cc(C(=O)Cn2cnc3ccccc32)c(Cl)cc1Cl
InChIInChI=1S/C15H11Cl2N3O3S/c16-10-6-11(17)15(24(18,22)23)5-9(10)14(21)7-20-8-19-12-3-1-2-4-13(12)20/h1-6,8H,7H2,(H2,18,22,23)
InChIKeyYAIQQAHCNJQINN-UHFFFAOYSA-N
MW384.24 g/mol
LogP2.87
Rot. Bonds4

About 5-[2-(benzimidazol-1-yl)acetyl]-2,4-dichlorobenzenesulfonamide

5-[2-(benzimidazol-1-yl)acetyl]-2,4-dichlorobenzenesulfonamide (PubChem CID 126508232) has the molecular formula C15H11Cl2N3O3S and a molecular weight of 384.24 g/mol. Its IUPAC name is 5-[2-(benzimidazol-1-yl)acetyl]-2,4-dichlorobenzenesulfonamide.

Molecular Properties

Compound Name5-[2-(benzimidazol-1-yl)acetyl]-2,4-dichlorobenzenesulfonamide
PubChem CID126508232
Molecular FormulaC15H11Cl2N3O3S
Molecular Weight384.24 g/mol
Exact Mass382.99
IUPAC Name5-[2-(benzimidazol-1-yl)acetyl]-2,4-dichlorobenzenesulfonamide
SMILESNS(=O)(=O)c1cc(C(=O)Cn2cnc3ccccc32)c(Cl)cc1Cl
InChIInChI=1S/C15H11Cl2N3O3S/c16-10-6-11(17)15(24(18,22)23)5-9(10)14(21)7-20-8-19-12-3-1-2-4-13(12)20/h1-6,8H,7H2,(H2,18,22,23)
InChIKeyYAIQQAHCNJQINN-UHFFFAOYSA-N
XLogP2.87
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.24
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(benzimidazol-1-yl)acetyl]-2,4-dichlorobenzenesulfonamide?
The IUPAC name of 5-[2-(benzimidazol-1-yl)acetyl]-2,4-dichlorobenzenesulfonamide (CID 126508232) is 5-[2-(benzimidazol-1-yl)acetyl]-2,4-dichlorobenzenesulfonamide.
What is the SMILES notation for 5-[2-(benzimidazol-1-yl)acetyl]-2,4-dichlorobenzenesulfonamide?
The canonical SMILES for 5-[2-(benzimidazol-1-yl)acetyl]-2,4-dichlorobenzenesulfonamide is NS(=O)(=O)c1cc(C(=O)Cn2cnc3ccccc32)c(Cl)cc1Cl.
What is the InChIKey of 5-[2-(benzimidazol-1-yl)acetyl]-2,4-dichlorobenzenesulfonamide?
The InChIKey is YAIQQAHCNJQINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3O3S/c16-10-6-11(17)15(24(18,22)23)5-9(10)14(21)7-20-8-19-12-3-1-2-4-13(12)20/h1-6,8H,7H2,(H2,18,22,23).
What are the key properties of 5-[2-(benzimidazol-1-yl)acetyl]-2,4-dichlorobenzenesulfonamide?
5-[2-(benzimidazol-1-yl)acetyl]-2,4-dichlorobenzenesulfonamide has a molecular weight of 384.24 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(benzimidazol-1-yl)acetyl]-2,4-dichlorobenzenesulfonamide is sourced from PubChem (CID 126508232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).