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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).