1-(benzenesulfonyl)-6-bromoindazol-3-amine

Name: 1-(benzenesulfonyl)-6-bromoindazol-3-amine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₃H₁₀BrN₃O₂S — CID 163248810

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC1-(benzenesulfonyl)-6-bromoindazol-3-amine

SMILESNc1nn(S(=O)(=O)c2ccccc2)c2cc(Br)ccc12

InChIInChI=1S/C13H10BrN3O2S/c14-9-6-7-11-12(8-9)17(16-13(11)15)20(18,19)10-4-2-1-3-5-10/h1-8H,(H2,15,16)

InChIKeyGTWUWWDPKKPKNS-UHFFFAOYSA-N

MW352.21 g/mol

LogP2.62

Rot. Bonds2

About 1-(benzenesulfonyl)-6-bromoindazol-3-amine

1-(benzenesulfonyl)-6-bromoindazol-3-amine (PubChem CID 163248810) has the molecular formula C₁₃H₁₀BrN₃O₂S and a molecular weight of 352.21 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-6-bromoindazol-3-amine.

Molecular Properties

Compound Name	1-(benzenesulfonyl)-6-bromoindazol-3-amine
PubChem CID	163248810
Molecular Formula	C₁₃H₁₀BrN₃O₂S
Molecular Weight	352.21 g/mol
Exact Mass	350.97
IUPAC Name	1-(benzenesulfonyl)-6-bromoindazol-3-amine
SMILES	Nc1nn(S(=O)(=O)c2ccccc2)c2cc(Br)ccc12
InChI	InChI=1S/C13H10BrN3O2S/c14-9-6-7-11-12(8-9)17(16-13(11)15)20(18,19)10-4-2-1-3-5-10/h1-8H,(H2,15,16)
InChIKey	GTWUWWDPKKPKNS-UHFFFAOYSA-N
XLogP	2.62
TPSA	77.98 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	2
Heavy Atoms	20
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.21
LogP ≤ 5	2.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-6-bromoindazol-3-amine?

The IUPAC name of 1-(benzenesulfonyl)-6-bromoindazol-3-amine (CID 163248810) is 1-(benzenesulfonyl)-6-bromoindazol-3-amine.

What is the SMILES notation for 1-(benzenesulfonyl)-6-bromoindazol-3-amine?

The canonical SMILES for 1-(benzenesulfonyl)-6-bromoindazol-3-amine is Nc1nn(S(=O)(=O)c2ccccc2)c2cc(Br)ccc12.

What is the InChIKey of 1-(benzenesulfonyl)-6-bromoindazol-3-amine?

The InChIKey is GTWUWWDPKKPKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3O2S/c14-9-6-7-11-12(8-9)17(16-13(11)15)20(18,19)10-4-2-1-3-5-10/h1-8H,(H2,15,16).

What are the key properties of 1-(benzenesulfonyl)-6-bromoindazol-3-amine?

1-(benzenesulfonyl)-6-bromoindazol-3-amine has a molecular weight of 352.21 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(benzenesulfonyl)-6-bromoindazol-3-amine is sourced from PubChem (CID 163248810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 163248810 — identifiers, structure, computed properties (public domain)

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