5-bromo-2-chloro-N-(1H-indazol-7-yl)pyridine-3-sulfonamide

C12H8BrClN4O2S — CID 60779709

IUPAC5-bromo-2-chloro-N-(1H-indazol-7-yl)pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1cccc2cn[nH]c12)c1cc(Br)cnc1Cl
InChIInChI=1S/C12H8BrClN4O2S/c13-8-4-10(12(14)15-6-8)21(19,20)18-9-3-1-2-7-5-16-17-11(7)9/h1-6,18H,(H,16,17)
InChIKeyZJRNFGPOECZAAK-UHFFFAOYSA-N
MW387.65 g/mol
LogP3.17
Rot. Bonds3

About 5-bromo-2-chloro-N-(1H-indazol-7-yl)pyridine-3-sulfonamide

5-bromo-2-chloro-N-(1H-indazol-7-yl)pyridine-3-sulfonamide (PubChem CID 60779709) has the molecular formula C12H8BrClN4O2S and a molecular weight of 387.65 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(1H-indazol-7-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(1H-indazol-7-yl)pyridine-3-sulfonamide
PubChem CID60779709
Molecular FormulaC12H8BrClN4O2S
Molecular Weight387.65 g/mol
Exact Mass385.92
IUPAC Name5-bromo-2-chloro-N-(1H-indazol-7-yl)pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1cccc2cn[nH]c12)c1cc(Br)cnc1Cl
InChIInChI=1S/C12H8BrClN4O2S/c13-8-4-10(12(14)15-6-8)21(19,20)18-9-3-1-2-7-5-16-17-11(7)9/h1-6,18H,(H,16,17)
InChIKeyZJRNFGPOECZAAK-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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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(1H-indazol-7-yl)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-2-chloro-N-(1H-indazol-7-yl)pyridine-3-sulfonamide (CID 60779709) is 5-bromo-2-chloro-N-(1H-indazol-7-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(1H-indazol-7-yl)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-2-chloro-N-(1H-indazol-7-yl)pyridine-3-sulfonamide is O=S(=O)(Nc1cccc2cn[nH]c12)c1cc(Br)cnc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-(1H-indazol-7-yl)pyridine-3-sulfonamide?
The InChIKey is ZJRNFGPOECZAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClN4O2S/c13-8-4-10(12(14)15-6-8)21(19,20)18-9-3-1-2-7-5-16-17-11(7)9/h1-6,18H,(H,16,17).
What are the key properties of 5-bromo-2-chloro-N-(1H-indazol-7-yl)pyridine-3-sulfonamide?
5-bromo-2-chloro-N-(1H-indazol-7-yl)pyridine-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 5-bromo-2-chloro-N-(1H-indazol-7-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 60779709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).