2-(benzenesulfonyl)-1-methoxyindole

C15H13NO3S — CID 70383102

IUPAC2-(benzenesulfonyl)-1-methoxyindole
SMILESCOn1c(S(=O)(=O)c2ccccc2)cc2ccccc21
InChIInChI=1S/C15H13NO3S/c1-19-16-14-10-6-5-7-12(14)11-15(16)20(17,18)13-8-3-2-4-9-13/h2-11H,1H3
InChIKeyZNNMGIFOHBJCSQ-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.53
Rot. Bonds3

About 2-(benzenesulfonyl)-1-methoxyindole

2-(benzenesulfonyl)-1-methoxyindole (PubChem CID 70383102) has the molecular formula C15H13NO3S and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-1-methoxyindole.

Molecular Properties

Compound Name2-(benzenesulfonyl)-1-methoxyindole
PubChem CID70383102
Molecular FormulaC15H13NO3S
Molecular Weight287.34 g/mol
Exact Mass287.06
IUPAC Name2-(benzenesulfonyl)-1-methoxyindole
SMILESCOn1c(S(=O)(=O)c2ccccc2)cc2ccccc21
InChIInChI=1S/C15H13NO3S/c1-19-16-14-10-6-5-7-12(14)11-15(16)20(17,18)13-8-3-2-4-9-13/h2-11H,1H3
InChIKeyZNNMGIFOHBJCSQ-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1H-Indole, 2-(phenylthio)-
CID 821198
[2-(3-Benzenesulfonyl-2-methyl-indol-1-yl)-ethyl]-dimethyl-amine
CID 10246789
Sinalbin B
CID 10515775
3-(2-methyl-1H-indol-3-yl)-2-(phenylsulfonyl)acrylonitrile
CID 963907
3-iodo-2-(4-methylphenyl)sulfonyl-1H-indole
CID 69620857
1-Methyl-2-thiophen-2-ylsulfonylindole
CID 155551545
1-Methyl-2-(4-methylphenyl)sulfonylindole
CID 155569116
1-(Phenylsulfonyl)-2-indoleboronic acid
CID 2776228
2-(Benzenesulfonyl)-1-methylindole
CID 17782079
1,2-Dimethyl-3-(4-methylphenyl)sulfonylindole
CID 85866764
1-Methyl-2-methylsulfonylindole
CID 152980776
3-iodo-6-methyl-2-(4-methylphenyl)sulfonyl-1H-indole
CID 155510708

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-1-methoxyindole?
The IUPAC name of 2-(benzenesulfonyl)-1-methoxyindole (CID 70383102) is 2-(benzenesulfonyl)-1-methoxyindole.
What is the SMILES notation for 2-(benzenesulfonyl)-1-methoxyindole?
The canonical SMILES for 2-(benzenesulfonyl)-1-methoxyindole is COn1c(S(=O)(=O)c2ccccc2)cc2ccccc21.
What is the InChIKey of 2-(benzenesulfonyl)-1-methoxyindole?
The InChIKey is ZNNMGIFOHBJCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3S/c1-19-16-14-10-6-5-7-12(14)11-15(16)20(17,18)13-8-3-2-4-9-13/h2-11H,1H3.
What are the key properties of 2-(benzenesulfonyl)-1-methoxyindole?
2-(benzenesulfonyl)-1-methoxyindole has a molecular weight of 287.34 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-1-methoxyindole is sourced from PubChem (CID 70383102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).