1-(benzenesulfonyl)-7-methoxyindole

C15H13NO3S — CID 11778801

IUPAC1-(benzenesulfonyl)-7-methoxyindole
SMILESCOc1cccc2ccn(S(=O)(=O)c3ccccc3)c12
InChIInChI=1S/C15H13NO3S/c1-19-14-9-5-6-12-10-11-16(15(12)14)20(17,18)13-7-3-2-4-8-13/h2-11H,1H3
InChIKeyJPLYCGNNGYBEQO-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.89
Rot. Bonds3

About 1-(benzenesulfonyl)-7-methoxyindole

1-(benzenesulfonyl)-7-methoxyindole (PubChem CID 11778801) has the molecular formula C15H13NO3S and a molecular weight of 287.34 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-7-methoxyindole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-7-methoxyindole
PubChem CID11778801
Molecular FormulaC15H13NO3S
Molecular Weight287.34 g/mol
Exact Mass287.06
IUPAC Name1-(benzenesulfonyl)-7-methoxyindole
SMILESCOc1cccc2ccn(S(=O)(=O)c3ccccc3)c12
InChIInChI=1S/C15H13NO3S/c1-19-14-9-5-6-12-10-11-16(15(12)14)20(17,18)13-7-3-2-4-8-13/h2-11H,1H3
InChIKeyJPLYCGNNGYBEQO-UHFFFAOYSA-N
XLogP2.89
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-7-methoxyindole?
The IUPAC name of 1-(benzenesulfonyl)-7-methoxyindole (CID 11778801) is 1-(benzenesulfonyl)-7-methoxyindole.
What is the SMILES notation for 1-(benzenesulfonyl)-7-methoxyindole?
The canonical SMILES for 1-(benzenesulfonyl)-7-methoxyindole is COc1cccc2ccn(S(=O)(=O)c3ccccc3)c12.
What is the InChIKey of 1-(benzenesulfonyl)-7-methoxyindole?
The InChIKey is JPLYCGNNGYBEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3S/c1-19-14-9-5-6-12-10-11-16(15(12)14)20(17,18)13-7-3-2-4-8-13/h2-11H,1H3.
What are the key properties of 1-(benzenesulfonyl)-7-methoxyindole?
1-(benzenesulfonyl)-7-methoxyindole has a molecular weight of 287.34 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-7-methoxyindole is sourced from PubChem (CID 11778801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).