N-(2-chlorophenyl)-3-(4-nitro-1H-benzimidazol-2-yl)benzenesulfonamide

C₁₉H₁₃ClN₄O₄S — CID 142088863

About N-(2-chlorophenyl)-3-(4-nitro-1H-benzimidazol-2-yl)benzenesulfonamide

N-(2-chlorophenyl)-3-(4-nitro-1H-benzimidazol-2-yl)benzenesulfonamide (PubChem CID 142088863) has the molecular formula C₁₉H₁₃ClN₄O₄S and a molecular weight of 428.86 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-(4-nitro-1H-benzimidazol-2-yl)benzenesulfonamide.

Molecular Properties

• Compound Name: N-(2-chlorophenyl)-3-(4-nitro-1H-benzimidazol-2-yl)benzenesulfonamide
• PubChem CID: 142088863
• Molecular Formula: C₁₉H₁₃ClN₄O₄S
• Molecular Weight: 428.86 g/mol
• Exact Mass: 428.03
• IUPAC Name: N-(2-chlorophenyl)-3-(4-nitro-1H-benzimidazol-2-yl)benzenesulfonamide
• SMILES: O=[N+]([O-])c1cccc2[nH]c(-c3cccc(S(=O)(=O)Nc4ccccc4Cl)c3)nc12
• InChI: InChI=1S/C19H13ClN4O4S/c20-14-7-1-2-8-15(14)23-29(27,28)13-6-3-5-12(11-13)19-21-16-9-4-10-17(24(25)26)18(16)22-19/h1-11,23H,(H,21,22)
• InChIKey: GERBGRRAUZOAPS-UHFFFAOYSA-N
• XLogP: 4.59
• TPSA: 117.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.86
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-(4-nitro-1H-benzimidazol-2-yl)benzenesulfonamide?

The IUPAC name of N-(2-chlorophenyl)-3-(4-nitro-1H-benzimidazol-2-yl)benzenesulfonamide (CID 142088863) is N-(2-chlorophenyl)-3-(4-nitro-1H-benzimidazol-2-yl)benzenesulfonamide.

What is the SMILES notation for N-(2-chlorophenyl)-3-(4-nitro-1H-benzimidazol-2-yl)benzenesulfonamide?

The canonical SMILES for N-(2-chlorophenyl)-3-(4-nitro-1H-benzimidazol-2-yl)benzenesulfonamide is O=[N+]([O-])c1cccc2[nH]c(-c3cccc(S(=O)(=O)Nc4ccccc4Cl)c3)nc12.

What is the InChIKey of N-(2-chlorophenyl)-3-(4-nitro-1H-benzimidazol-2-yl)benzenesulfonamide?

The InChIKey is GERBGRRAUZOAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN4O4S/c20-14-7-1-2-8-15(14)23-29(27,28)13-6-3-5-12(11-13)19-21-16-9-4-10-17(24(25)26)18(16)22-19/h1-11,23H,(H,21,22).

What are the key properties of N-(2-chlorophenyl)-3-(4-nitro-1H-benzimidazol-2-yl)benzenesulfonamide?

N-(2-chlorophenyl)-3-(4-nitro-1H-benzimidazol-2-yl)benzenesulfonamide has a molecular weight of 428.86 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-chlorophenyl)-3-(4-nitro-1H-benzimidazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 142088863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 142088863 — identifiers, structure, computed properties (public domain)

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