N-(2-chloro-3-pyridinyl)-2-phenyl-3H-benzimidazole-5-sulfonamide

C18H13ClN4O2S — CID 25039590

IUPACN-(2-chloro-3-pyridinyl)-2-phenyl-3H-benzimidazole-5-sulfonamide
SMILESO=S(=O)(Nc1cccnc1Cl)c1ccc2nc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C18H13ClN4O2S/c19-17-15(7-4-10-20-17)23-26(24,25)13-8-9-14-16(11-13)22-18(21-14)12-5-2-1-3-6-12/h1-11,23H,(H,21,22)
InChIKeyKUCKWOCTZLJZKI-UHFFFAOYSA-N
MW384.85 g/mol
LogP4.08
Rot. Bonds4

About N-(2-chloro-3-pyridinyl)-2-phenyl-3H-benzimidazole-5-sulfonamide

N-(2-chloro-3-pyridinyl)-2-phenyl-3H-benzimidazole-5-sulfonamide (PubChem CID 25039590) has the molecular formula C18H13ClN4O2S and a molecular weight of 384.85 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-2-phenyl-3H-benzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-2-phenyl-3H-benzimidazole-5-sulfonamide
PubChem CID25039590
Molecular FormulaC18H13ClN4O2S
Molecular Weight384.85 g/mol
Exact Mass384.04
IUPAC NameN-(2-chloro-3-pyridinyl)-2-phenyl-3H-benzimidazole-5-sulfonamide
SMILESO=S(=O)(Nc1cccnc1Cl)c1ccc2nc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C18H13ClN4O2S/c19-17-15(7-4-10-20-17)23-26(24,25)13-8-9-14-16(11-13)22-18(21-14)12-5-2-1-3-6-12/h1-11,23H,(H,21,22)
InChIKeyKUCKWOCTZLJZKI-UHFFFAOYSA-N
XLogP4.08
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.85
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(3-chlorophenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide
CID 22430107
N-(2,4-dimethylphenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide
CID 22430112
2-phenyl-6-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]-1H-benzimidazole
CID 101498548
N-(2-hydroxyethyl)-2-phenyl-3H-benzimidazole-5-sulfonamide
CID 176561332
N-(2-chlorophenyl)-2-(6-methyl-2-pyridinyl)-3H-benzimidazole-5-sulfonamide
CID 70573433
N-(2-chloro-3-pyridinyl)-4-fluorobenzenesulfonamide
CID 2169091
N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-2-phenyl-3H-benzimidazole-5-sulfonamide
CID 25040313
N-butyl-2-phenyl-3H-benzimidazole-5-sulfonamide
CID 122174787
N-(2-pyridin-3-yl-3H-benzimidazol-5-yl)benzenesulfonamide
CID 53370749
2-chloro-4-[(2-chloro-3-pyridinyl)sulfamoyl]benzoic acid
CID 103710289
N-(2-chloro-3-pyridinyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 26969819
4-bromo-N-(2-chloro-3-pyridinyl)benzenesulfonamide
CID 4994113

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-2-phenyl-3H-benzimidazole-5-sulfonamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-2-phenyl-3H-benzimidazole-5-sulfonamide (CID 25039590) is N-(2-chloro-3-pyridinyl)-2-phenyl-3H-benzimidazole-5-sulfonamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-2-phenyl-3H-benzimidazole-5-sulfonamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-2-phenyl-3H-benzimidazole-5-sulfonamide is O=S(=O)(Nc1cccnc1Cl)c1ccc2nc(-c3ccccc3)[nH]c2c1.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-2-phenyl-3H-benzimidazole-5-sulfonamide?
The InChIKey is KUCKWOCTZLJZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4O2S/c19-17-15(7-4-10-20-17)23-26(24,25)13-8-9-14-16(11-13)22-18(21-14)12-5-2-1-3-6-12/h1-11,23H,(H,21,22).
What are the key properties of N-(2-chloro-3-pyridinyl)-2-phenyl-3H-benzimidazole-5-sulfonamide?
N-(2-chloro-3-pyridinyl)-2-phenyl-3H-benzimidazole-5-sulfonamide has a molecular weight of 384.85 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-2-phenyl-3H-benzimidazole-5-sulfonamide is sourced from PubChem (CID 25039590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).