1-(benzenesulfonyl)-5-bromoindazole

C13H9BrN2O2S — CID 70881551

IUPAC1-(benzenesulfonyl)-5-bromoindazole
SMILESO=S(=O)(c1ccccc1)n1ncc2cc(Br)ccc21
InChIInChI=1S/C13H9BrN2O2S/c14-11-6-7-13-10(8-11)9-15-16(13)19(17,18)12-4-2-1-3-5-12/h1-9H
InChIKeyBGHNXFAAAHVVAJ-UHFFFAOYSA-N
MW337.20 g/mol
LogP3.04
Rot. Bonds2

About 1-(benzenesulfonyl)-5-bromoindazole

1-(benzenesulfonyl)-5-bromoindazole (PubChem CID 70881551) has the molecular formula C13H9BrN2O2S and a molecular weight of 337.20 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-5-bromoindazole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-5-bromoindazole
PubChem CID70881551
Molecular FormulaC13H9BrN2O2S
Molecular Weight337.20 g/mol
Exact Mass335.96
IUPAC Name1-(benzenesulfonyl)-5-bromoindazole
SMILESO=S(=O)(c1ccccc1)n1ncc2cc(Br)ccc21
InChIInChI=1S/C13H9BrN2O2S/c14-11-6-7-13-10(8-11)9-15-16(13)19(17,18)12-4-2-1-3-5-12/h1-9H
InChIKeyBGHNXFAAAHVVAJ-UHFFFAOYSA-N
XLogP3.04
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.20
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(benzenesulfonyl)-5-bromoindazole 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 1-(benzenesulfonyl)-5-bromoindazole?
The IUPAC name of 1-(benzenesulfonyl)-5-bromoindazole (CID 70881551) is 1-(benzenesulfonyl)-5-bromoindazole.
What is the SMILES notation for 1-(benzenesulfonyl)-5-bromoindazole?
The canonical SMILES for 1-(benzenesulfonyl)-5-bromoindazole is O=S(=O)(c1ccccc1)n1ncc2cc(Br)ccc21.
What is the InChIKey of 1-(benzenesulfonyl)-5-bromoindazole?
The InChIKey is BGHNXFAAAHVVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN2O2S/c14-11-6-7-13-10(8-11)9-15-16(13)19(17,18)12-4-2-1-3-5-12/h1-9H.
What are the key properties of 1-(benzenesulfonyl)-5-bromoindazole?
1-(benzenesulfonyl)-5-bromoindazole has a molecular weight of 337.20 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-5-bromoindazole is sourced from PubChem (CID 70881551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).