3-(benzenesulfonylmethyl)-1-methylindole

C16H15NO2S — CID 146164754

IUPAC3-(benzenesulfonylmethyl)-1-methylindole
SMILESCn1cc(CS(=O)(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C16H15NO2S/c1-17-11-13(15-9-5-6-10-16(15)17)12-20(18,19)14-7-3-2-4-8-14/h2-11H,12H2,1H3
InChIKeyMYZQTZPVCDBALT-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.15
Rot. Bonds3

About 3-(benzenesulfonylmethyl)-1-methylindole

3-(benzenesulfonylmethyl)-1-methylindole (PubChem CID 146164754) has the molecular formula C16H15NO2S and a molecular weight of 285.37 g/mol. Its IUPAC name is 3-(benzenesulfonylmethyl)-1-methylindole.

Molecular Properties

Compound Name3-(benzenesulfonylmethyl)-1-methylindole
PubChem CID146164754
Molecular FormulaC16H15NO2S
Molecular Weight285.37 g/mol
Exact Mass285.08
IUPAC Name3-(benzenesulfonylmethyl)-1-methylindole
SMILESCn1cc(CS(=O)(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C16H15NO2S/c1-17-11-13(15-9-5-6-10-16(15)17)12-20(18,19)14-7-3-2-4-8-14/h2-11H,12H2,1H3
InChIKeyMYZQTZPVCDBALT-UHFFFAOYSA-N
XLogP3.15
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(benzenesulfonylmethyl)-2-methylisoquinolin-1-one
CID 10969024
2-(1-methylindol-3-yl)ethanesulfonyl chloride
CID 82483252
3-[(2-ethylphenyl)methyl]-1-methylindole
CID 162400454
3-(benzenesulfonylmethyl)-1-methylquinolin-2-one
CID 18801719
3-(methoxymethyl)-1-methylindole
CID 18711466
3-(2-bromoethyl)-1-methylindole
CID 13153306
N-hydroxy-1-methylindole-3-sulfonamide
CID 82287794
methanamine;2-(1-methylindol-3-yl)acetaldehyde
CID 145482195
4-bromo-N-[2-(1-methylindol-3-yl)ethyl]benzenesulfonamide
CID 113083934
4-(1-methylindol-3-yl)butyl methanesulfonate
CID 10107768
N,N'-dimethyl-N,N'-bis[(1-methylindol-3-yl)methyl]propane-1,3-diamine
CID 140589591
3-benzyl-1-methylquinolin-4-one
CID 10988673

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonylmethyl)-1-methylindole?
The IUPAC name of 3-(benzenesulfonylmethyl)-1-methylindole (CID 146164754) is 3-(benzenesulfonylmethyl)-1-methylindole.
What is the SMILES notation for 3-(benzenesulfonylmethyl)-1-methylindole?
The canonical SMILES for 3-(benzenesulfonylmethyl)-1-methylindole is Cn1cc(CS(=O)(=O)c2ccccc2)c2ccccc21.
What is the InChIKey of 3-(benzenesulfonylmethyl)-1-methylindole?
The InChIKey is MYZQTZPVCDBALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2S/c1-17-11-13(15-9-5-6-10-16(15)17)12-20(18,19)14-7-3-2-4-8-14/h2-11H,12H2,1H3.
What are the key properties of 3-(benzenesulfonylmethyl)-1-methylindole?
3-(benzenesulfonylmethyl)-1-methylindole has a molecular weight of 285.37 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonylmethyl)-1-methylindole is sourced from PubChem (CID 146164754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).