7-bromo-N-(1H-pyrazol-4-yl)-1H-indole-3-sulfonamide

C11H9BrN4O2S — CID 166293835

IUPAC7-bromo-N-(1H-pyrazol-4-yl)-1H-indole-3-sulfonamide
SMILESO=S(=O)(Nc1cn[nH]c1)c1c[nH]c2c(Br)cccc12
InChIInChI=1S/C11H9BrN4O2S/c12-9-3-1-2-8-10(6-13-11(8)9)19(17,18)16-7-4-14-15-5-7/h1-6,13,16H,(H,14,15)
InChIKeyWBVOKJPMTHSXLO-UHFFFAOYSA-N
MW341.19 g/mol
LogP2.45
Rot. Bonds3

About 7-bromo-N-(1H-pyrazol-4-yl)-1H-indole-3-sulfonamide

7-bromo-N-(1H-pyrazol-4-yl)-1H-indole-3-sulfonamide (PubChem CID 166293835) has the molecular formula C11H9BrN4O2S and a molecular weight of 341.19 g/mol. Its IUPAC name is 7-bromo-N-(1H-pyrazol-4-yl)-1H-indole-3-sulfonamide.

Molecular Properties

Compound Name7-bromo-N-(1H-pyrazol-4-yl)-1H-indole-3-sulfonamide
PubChem CID166293835
Molecular FormulaC11H9BrN4O2S
Molecular Weight341.19 g/mol
Exact Mass339.96
IUPAC Name7-bromo-N-(1H-pyrazol-4-yl)-1H-indole-3-sulfonamide
SMILESO=S(=O)(Nc1cn[nH]c1)c1c[nH]c2c(Br)cccc12
InChIInChI=1S/C11H9BrN4O2S/c12-9-3-1-2-8-10(6-13-11(8)9)19(17,18)16-7-4-14-15-5-7/h1-6,13,16H,(H,14,15)
InChIKeyWBVOKJPMTHSXLO-UHFFFAOYSA-N
XLogP2.45
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.19
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 7-bromo-N-(1H-pyrazol-4-yl)-1H-indole-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 7-bromo-N-(1H-pyrazol-4-yl)-1H-indole-3-sulfonamide?
The IUPAC name of 7-bromo-N-(1H-pyrazol-4-yl)-1H-indole-3-sulfonamide (CID 166293835) is 7-bromo-N-(1H-pyrazol-4-yl)-1H-indole-3-sulfonamide.
What is the SMILES notation for 7-bromo-N-(1H-pyrazol-4-yl)-1H-indole-3-sulfonamide?
The canonical SMILES for 7-bromo-N-(1H-pyrazol-4-yl)-1H-indole-3-sulfonamide is O=S(=O)(Nc1cn[nH]c1)c1c[nH]c2c(Br)cccc12.
What is the InChIKey of 7-bromo-N-(1H-pyrazol-4-yl)-1H-indole-3-sulfonamide?
The InChIKey is WBVOKJPMTHSXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN4O2S/c12-9-3-1-2-8-10(6-13-11(8)9)19(17,18)16-7-4-14-15-5-7/h1-6,13,16H,(H,14,15).
What are the key properties of 7-bromo-N-(1H-pyrazol-4-yl)-1H-indole-3-sulfonamide?
7-bromo-N-(1H-pyrazol-4-yl)-1H-indole-3-sulfonamide has a molecular weight of 341.19 g/mol, XLogP of 2.45, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-(1H-pyrazol-4-yl)-1H-indole-3-sulfonamide is sourced from PubChem (CID 166293835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).