N-(1H-benzimidazol-2-yl)-5-bromo-2-chloropyridine-3-sulfonamide

C12H8BrClN4O2S — CID 63563544

IUPACN-(1H-benzimidazol-2-yl)-5-bromo-2-chloropyridine-3-sulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2[nH]1)c1cc(Br)cnc1Cl
InChIInChI=1S/C12H8BrClN4O2S/c13-7-5-10(11(14)15-6-7)21(19,20)18-12-16-8-3-1-2-4-9(8)17-12/h1-6H,(H2,16,17,18)
InChIKeyHKUQXCKTIJRSJO-UHFFFAOYSA-N
MW387.65 g/mol
LogP3.17
Rot. Bonds3

About N-(1H-benzimidazol-2-yl)-5-bromo-2-chloropyridine-3-sulfonamide

N-(1H-benzimidazol-2-yl)-5-bromo-2-chloropyridine-3-sulfonamide (PubChem CID 63563544) has the molecular formula C12H8BrClN4O2S and a molecular weight of 387.65 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-5-bromo-2-chloropyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-5-bromo-2-chloropyridine-3-sulfonamide
PubChem CID63563544
Molecular FormulaC12H8BrClN4O2S
Molecular Weight387.65 g/mol
Exact Mass385.92
IUPAC NameN-(1H-benzimidazol-2-yl)-5-bromo-2-chloropyridine-3-sulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2[nH]1)c1cc(Br)cnc1Cl
InChIInChI=1S/C12H8BrClN4O2S/c13-7-5-10(11(14)15-6-7)21(19,20)18-12-16-8-3-1-2-4-9(8)17-12/h1-6H,(H2,16,17,18)
InChIKeyHKUQXCKTIJRSJO-UHFFFAOYSA-N
XLogP3.17
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.65
LogP ≤ 53.17
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-[5-(2-amino-3H-benzimidazol-5-yl)-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 53387571
N-[5-(3H-benzimidazol-5-yl)-2-chloro-3-pyridinyl]benzenesulfonamide
CID 164622346
N-[5-(6-bromoimidazo[1,2-a]pyridin-3-yl)-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 46913314
2-(pyridin-2-yl)-1H-1,3-benzodiazole-5-sulfonamide
CID 45794569
N-(4-chlorophenyl)-2-pyridin-2-yl-3H-benzimidazole-5-sulfonamide
CID 16311963
N-(1H-benzimidazol-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 2547545
2-((4-(pyridin-3-ylsulfonyl)piperazin-1-yl)methyl)-1H-benzo[d]imidazole
CID 44087404
2-(4-((4-chlorophenyl)sulfonyl)piperazin-1-yl)-1H-benzo[d]imidazole
CID 45552994
N-(2-chlorophenyl)-2-(3,5-difluoro-2-pyridinyl)-3H-benzimidazole-5-sulfonamide
CID 50923251
N-(2-chlorophenyl)-2-(3-fluoropyridin-2-yl)-1H-benzo[d]imidazole-5-sulfonamide
CID 50925150
5-bromo-6-chloro-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]pyridine-3-sulfonamide
CID 59177139
4-Bromo-N-(4-chloro-2-[1,2,3]triazolo[4,5-b]pyridin-1-yl-phenyl)-3-fluoro-benzensulfonamide
CID 59428112

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-5-bromo-2-chloropyridine-3-sulfonamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-5-bromo-2-chloropyridine-3-sulfonamide (CID 63563544) is N-(1H-benzimidazol-2-yl)-5-bromo-2-chloropyridine-3-sulfonamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-5-bromo-2-chloropyridine-3-sulfonamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-5-bromo-2-chloropyridine-3-sulfonamide is O=S(=O)(Nc1nc2ccccc2[nH]1)c1cc(Br)cnc1Cl.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-5-bromo-2-chloropyridine-3-sulfonamide?
The InChIKey is HKUQXCKTIJRSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClN4O2S/c13-7-5-10(11(14)15-6-7)21(19,20)18-12-16-8-3-1-2-4-9(8)17-12/h1-6H,(H2,16,17,18).
What are the key properties of N-(1H-benzimidazol-2-yl)-5-bromo-2-chloropyridine-3-sulfonamide?
N-(1H-benzimidazol-2-yl)-5-bromo-2-chloropyridine-3-sulfonamide has a molecular weight of 387.65 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-5-bromo-2-chloropyridine-3-sulfonamide is sourced from PubChem (CID 63563544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).