7-(2-bromoethyl)-1H-indole-5-sulfonamide

C10H11BrN2O2S — CID 89239876

IUPAC7-(2-bromoethyl)-1H-indole-5-sulfonamide
SMILESNS(=O)(=O)c1cc(CCBr)c2[nH]ccc2c1
InChIInChI=1S/C10H11BrN2O2S/c11-3-1-7-5-9(16(12,14)15)6-8-2-4-13-10(7)8/h2,4-6,13H,1,3H2,(H2,12,14,15)
InChIKeyQDVVPPMQMVCGSJ-UHFFFAOYSA-N
MW303.18 g/mol
LogP1.75
Rot. Bonds3

About 7-(2-bromoethyl)-1H-indole-5-sulfonamide

7-(2-bromoethyl)-1H-indole-5-sulfonamide (PubChem CID 89239876) has the molecular formula C10H11BrN2O2S and a molecular weight of 303.18 g/mol. Its IUPAC name is 7-(2-bromoethyl)-1H-indole-5-sulfonamide.

Molecular Properties

Compound Name7-(2-bromoethyl)-1H-indole-5-sulfonamide
PubChem CID89239876
Molecular FormulaC10H11BrN2O2S
Molecular Weight303.18 g/mol
Exact Mass301.97
IUPAC Name7-(2-bromoethyl)-1H-indole-5-sulfonamide
SMILESNS(=O)(=O)c1cc(CCBr)c2[nH]ccc2c1
InChIInChI=1S/C10H11BrN2O2S/c11-3-1-7-5-9(16(12,14)15)6-8-2-4-13-10(7)8/h2,4-6,13H,1,3H2,(H2,12,14,15)
InChIKeyQDVVPPMQMVCGSJ-UHFFFAOYSA-N
XLogP1.75
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.18
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(2-bromoethyl)-1H-indole-5-sulfonamide?
The IUPAC name of 7-(2-bromoethyl)-1H-indole-5-sulfonamide (CID 89239876) is 7-(2-bromoethyl)-1H-indole-5-sulfonamide.
What is the SMILES notation for 7-(2-bromoethyl)-1H-indole-5-sulfonamide?
The canonical SMILES for 7-(2-bromoethyl)-1H-indole-5-sulfonamide is NS(=O)(=O)c1cc(CCBr)c2[nH]ccc2c1.
What is the InChIKey of 7-(2-bromoethyl)-1H-indole-5-sulfonamide?
The InChIKey is QDVVPPMQMVCGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O2S/c11-3-1-7-5-9(16(12,14)15)6-8-2-4-13-10(7)8/h2,4-6,13H,1,3H2,(H2,12,14,15).
What are the key properties of 7-(2-bromoethyl)-1H-indole-5-sulfonamide?
7-(2-bromoethyl)-1H-indole-5-sulfonamide has a molecular weight of 303.18 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-bromoethyl)-1H-indole-5-sulfonamide is sourced from PubChem (CID 89239876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).