2-(benzenesulfonyl)-6-methoxy-1H-indole

C15H13NO3S — CID 70492272

IUPAC2-(benzenesulfonyl)-6-methoxy-1H-indole
SMILESCOc1ccc2cc(S(=O)(=O)c3ccccc3)[nH]c2c1
InChIInChI=1S/C15H13NO3S/c1-19-12-8-7-11-9-15(16-14(11)10-12)20(17,18)13-5-3-2-4-6-13/h2-10,16H,1H3
InChIKeySYNHIXVBWMJRTQ-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.01
Rot. Bonds3

About 2-(benzenesulfonyl)-6-methoxy-1H-indole

2-(benzenesulfonyl)-6-methoxy-1H-indole (PubChem CID 70492272) has the molecular formula C15H13NO3S and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-6-methoxy-1H-indole.

Molecular Properties

Compound Name2-(benzenesulfonyl)-6-methoxy-1H-indole
PubChem CID70492272
Molecular FormulaC15H13NO3S
Molecular Weight287.34 g/mol
Exact Mass287.06
IUPAC Name2-(benzenesulfonyl)-6-methoxy-1H-indole
SMILESCOc1ccc2cc(S(=O)(=O)c3ccccc3)[nH]c2c1
InChIInChI=1S/C15H13NO3S/c1-19-12-8-7-11-9-15(16-14(11)10-12)20(17,18)13-5-3-2-4-6-13/h2-10,16H,1H3
InChIKeySYNHIXVBWMJRTQ-UHFFFAOYSA-N
XLogP3.01
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(benzenesulfonyl)-6-methoxy-1H-indole 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 2-(benzenesulfonyl)-6-methoxy-1H-indole?
The IUPAC name of 2-(benzenesulfonyl)-6-methoxy-1H-indole (CID 70492272) is 2-(benzenesulfonyl)-6-methoxy-1H-indole.
What is the SMILES notation for 2-(benzenesulfonyl)-6-methoxy-1H-indole?
The canonical SMILES for 2-(benzenesulfonyl)-6-methoxy-1H-indole is COc1ccc2cc(S(=O)(=O)c3ccccc3)[nH]c2c1.
What is the InChIKey of 2-(benzenesulfonyl)-6-methoxy-1H-indole?
The InChIKey is SYNHIXVBWMJRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3S/c1-19-12-8-7-11-9-15(16-14(11)10-12)20(17,18)13-5-3-2-4-6-13/h2-10,16H,1H3.
What are the key properties of 2-(benzenesulfonyl)-6-methoxy-1H-indole?
2-(benzenesulfonyl)-6-methoxy-1H-indole has a molecular weight of 287.34 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-6-methoxy-1H-indole is sourced from PubChem (CID 70492272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).