3-(benzenesulfonylmethyl)-7-methoxy-1H-indole

C16H15NO3S — CID 146164758

IUPAC3-(benzenesulfonylmethyl)-7-methoxy-1H-indole
SMILESCOc1cccc2c(CS(=O)(=O)c3ccccc3)c[nH]c12
InChIInChI=1S/C16H15NO3S/c1-20-15-9-5-8-14-12(10-17-16(14)15)11-21(18,19)13-6-3-2-4-7-13/h2-10,17H,11H2,1H3
InChIKeyHTOQODHZNSJXKM-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.15
Rot. Bonds4

About 3-(benzenesulfonylmethyl)-7-methoxy-1H-indole

3-(benzenesulfonylmethyl)-7-methoxy-1H-indole (PubChem CID 146164758) has the molecular formula C16H15NO3S and a molecular weight of 301.37 g/mol. Its IUPAC name is 3-(benzenesulfonylmethyl)-7-methoxy-1H-indole.

Molecular Properties

Compound Name3-(benzenesulfonylmethyl)-7-methoxy-1H-indole
PubChem CID146164758
Molecular FormulaC16H15NO3S
Molecular Weight301.37 g/mol
Exact Mass301.08
IUPAC Name3-(benzenesulfonylmethyl)-7-methoxy-1H-indole
SMILESCOc1cccc2c(CS(=O)(=O)c3ccccc3)c[nH]c12
InChIInChI=1S/C16H15NO3S/c1-20-15-9-5-8-14-12(10-17-16(14)15)11-21(18,19)13-6-3-2-4-7-13/h2-10,17H,11H2,1H3
InChIKeyHTOQODHZNSJXKM-UHFFFAOYSA-N
XLogP3.15
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-fluoro-3-[(4-methylphenyl)sulfonylmethyl]-1H-indole
CID 146164619
2-(7-methoxy-1H-indol-3-yl)acetonitrile
CID 604224
2-amino-3-(7-methoxy-1H-indol-3-yl)propanoic acid;ethane
CID 145142398
1-(azepan-1-yl)-2-(7-methoxy-1H-indol-3-yl)ethanone
CID 110856311
16-(7-methoxy-1H-indol-3-yl)hexadecan-1-ol
CID 11429148
5-(7-methoxy-1H-indol-3-yl)pentan-1-amine
CID 96598611
2-(7-methoxy-1H-indol-3-yl)-N-propan-2-ylacetamide
CID 110847883
N-tert-butyl-2-(7-methoxy-1H-indol-3-yl)acetamide
CID 110855362
1-(4-ethylpiperazin-1-yl)-2-(7-methoxy-1H-indol-3-yl)ethanone
CID 110849938
2-(benzenesulfonylmethyl)-8-methoxynaphthalene-1-carboxylic acid
CID 52913419
2-(benzenesulfonylmethyl)-4,5-dimethoxybenzaldehyde
CID 102531525
(2S)-1-(7-methoxy-1H-indol-3-yl)-4-methyl-2-(propan-2-ylamino)pentan-3-one
CID 177080560

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonylmethyl)-7-methoxy-1H-indole?
The IUPAC name of 3-(benzenesulfonylmethyl)-7-methoxy-1H-indole (CID 146164758) is 3-(benzenesulfonylmethyl)-7-methoxy-1H-indole.
What is the SMILES notation for 3-(benzenesulfonylmethyl)-7-methoxy-1H-indole?
The canonical SMILES for 3-(benzenesulfonylmethyl)-7-methoxy-1H-indole is COc1cccc2c(CS(=O)(=O)c3ccccc3)c[nH]c12.
What is the InChIKey of 3-(benzenesulfonylmethyl)-7-methoxy-1H-indole?
The InChIKey is HTOQODHZNSJXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3S/c1-20-15-9-5-8-14-12(10-17-16(14)15)11-21(18,19)13-6-3-2-4-7-13/h2-10,17H,11H2,1H3.
What are the key properties of 3-(benzenesulfonylmethyl)-7-methoxy-1H-indole?
3-(benzenesulfonylmethyl)-7-methoxy-1H-indole has a molecular weight of 301.37 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonylmethyl)-7-methoxy-1H-indole is sourced from PubChem (CID 146164758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).