N-(2-pyridin-3-yl-3H-benzimidazol-5-yl)benzenesulfonamide

C18H14N4O2S — CID 53370749

IUPACN-(2-pyridin-3-yl-3H-benzimidazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2nc(-c3cccnc3)[nH]c2c1)c1ccccc1
InChIInChI=1S/C18H14N4O2S/c23-25(24,15-6-2-1-3-7-15)22-14-8-9-16-17(11-14)21-18(20-16)13-5-4-10-19-12-13/h1-12,22H,(H,20,21)
InChIKeyHDKFXCXJJMRDMX-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.43
Rot. Bonds4

About N-(2-pyridin-3-yl-3H-benzimidazol-5-yl)benzenesulfonamide

N-(2-pyridin-3-yl-3H-benzimidazol-5-yl)benzenesulfonamide (PubChem CID 53370749) has the molecular formula C18H14N4O2S and a molecular weight of 350.40 g/mol. Its IUPAC name is N-(2-pyridin-3-yl-3H-benzimidazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-pyridin-3-yl-3H-benzimidazol-5-yl)benzenesulfonamide
PubChem CID53370749
Molecular FormulaC18H14N4O2S
Molecular Weight350.40 g/mol
Exact Mass350.08
IUPAC NameN-(2-pyridin-3-yl-3H-benzimidazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2nc(-c3cccnc3)[nH]c2c1)c1ccccc1
InChIInChI=1S/C18H14N4O2S/c23-25(24,15-6-2-1-3-7-15)22-14-8-9-16-17(11-14)21-18(20-16)13-5-4-10-19-12-13/h1-12,22H,(H,20,21)
InChIKeyHDKFXCXJJMRDMX-UHFFFAOYSA-N
XLogP3.43
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzenesulfonamide
CID 100580925
4-methyl-N-(2-pyridin-4-yl-3H-benzimidazol-5-yl)benzenesulfonamide
CID 4192275
N-(3-chlorophenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide
CID 22430107
[2-oxo-2-[4-(pyrimidin-2-ylsulfamoyl)anilino]ethyl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate
CID 25039782
2-pyridin-3-yl-1H-benzo[f]benzimidazole
CID 3152015
[1-oxo-1-[4-(pyrimidin-2-ylsulfamoyl)anilino]propan-2-yl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate
CID 25049573
[2-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]anilino]-2-oxoethyl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate
CID 25042215
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-bromobenzenesulfonamide
CID 100580950
N-(2-chloro-3-pyridinyl)-2-phenyl-3H-benzimidazole-5-sulfonamide
CID 25039590
methyl 4-[(2-pyridin-3-yl-3H-benzimidazol-5-yl)carbamoyl]benzoate
CID 3153966
N-[5-(3-pyridin-3-ylquinoxalin-6-yl)-3-pyridinyl]benzenesulfonamide
CID 68508597
2-phenyl-6-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]-1H-benzimidazole
CID 101498548

Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-3-yl-3H-benzimidazol-5-yl)benzenesulfonamide?
The IUPAC name of N-(2-pyridin-3-yl-3H-benzimidazol-5-yl)benzenesulfonamide (CID 53370749) is N-(2-pyridin-3-yl-3H-benzimidazol-5-yl)benzenesulfonamide.
What is the SMILES notation for N-(2-pyridin-3-yl-3H-benzimidazol-5-yl)benzenesulfonamide?
The canonical SMILES for N-(2-pyridin-3-yl-3H-benzimidazol-5-yl)benzenesulfonamide is O=S(=O)(Nc1ccc2nc(-c3cccnc3)[nH]c2c1)c1ccccc1.
What is the InChIKey of N-(2-pyridin-3-yl-3H-benzimidazol-5-yl)benzenesulfonamide?
The InChIKey is HDKFXCXJJMRDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2S/c23-25(24,15-6-2-1-3-7-15)22-14-8-9-16-17(11-14)21-18(20-16)13-5-4-10-19-12-13/h1-12,22H,(H,20,21).
What are the key properties of N-(2-pyridin-3-yl-3H-benzimidazol-5-yl)benzenesulfonamide?
N-(2-pyridin-3-yl-3H-benzimidazol-5-yl)benzenesulfonamide has a molecular weight of 350.40 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-3-yl-3H-benzimidazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 53370749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).