1-(benzenesulfonyl)-6-methylindole

C15H13NO2S — CID 14197466

IUPAC1-(benzenesulfonyl)-6-methylindole
SMILESCc1ccc2ccn(S(=O)(=O)c3ccccc3)c2c1
InChIInChI=1S/C15H13NO2S/c1-12-7-8-13-9-10-16(15(13)11-12)19(17,18)14-5-3-2-4-6-14/h2-11H,1H3
InChIKeyOQRSDXYBBXZHAI-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.19
Rot. Bonds2

About 1-(benzenesulfonyl)-6-methylindole

1-(benzenesulfonyl)-6-methylindole (PubChem CID 14197466) has the molecular formula C15H13NO2S and a molecular weight of 271.34 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-6-methylindole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-6-methylindole
PubChem CID14197466
Molecular FormulaC15H13NO2S
Molecular Weight271.34 g/mol
Exact Mass271.07
IUPAC Name1-(benzenesulfonyl)-6-methylindole
SMILESCc1ccc2ccn(S(=O)(=O)c3ccccc3)c2c1
InChIInChI=1S/C15H13NO2S/c1-12-7-8-13-9-10-16(15(13)11-12)19(17,18)14-5-3-2-4-6-14/h2-11H,1H3
InChIKeyOQRSDXYBBXZHAI-UHFFFAOYSA-N
XLogP3.19
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-6-methylindole?
The IUPAC name of 1-(benzenesulfonyl)-6-methylindole (CID 14197466) is 1-(benzenesulfonyl)-6-methylindole.
What is the SMILES notation for 1-(benzenesulfonyl)-6-methylindole?
The canonical SMILES for 1-(benzenesulfonyl)-6-methylindole is Cc1ccc2ccn(S(=O)(=O)c3ccccc3)c2c1.
What is the InChIKey of 1-(benzenesulfonyl)-6-methylindole?
The InChIKey is OQRSDXYBBXZHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2S/c1-12-7-8-13-9-10-16(15(13)11-12)19(17,18)14-5-3-2-4-6-14/h2-11H,1H3.
What are the key properties of 1-(benzenesulfonyl)-6-methylindole?
1-(benzenesulfonyl)-6-methylindole has a molecular weight of 271.34 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-6-methylindole is sourced from PubChem (CID 14197466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).