3-methylsulfonyl-1H-indole

C9H9NO2S — CID 86767790

IUPAC3-methylsulfonyl-1H-indole
SMILESCS(=O)(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C9H9NO2S/c1-13(11,12)9-6-10-8-5-3-2-4-7(8)9/h2-6,10H,1H3
InChIKeyLURCQPDCRKARFF-UHFFFAOYSA-N
MW195.24 g/mol
LogP1.57
Rot. Bonds1

About 3-methylsulfonyl-1H-indole

3-methylsulfonyl-1H-indole (PubChem CID 86767790) has the molecular formula C9H9NO2S and a molecular weight of 195.24 g/mol. Its IUPAC name is 3-methylsulfonyl-1H-indole.

Molecular Properties

Compound Name3-methylsulfonyl-1H-indole
PubChem CID86767790
Molecular FormulaC9H9NO2S
Molecular Weight195.24 g/mol
Exact Mass195.04
IUPAC Name3-methylsulfonyl-1H-indole
SMILESCS(=O)(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C9H9NO2S/c1-13(11,12)9-6-10-8-5-3-2-4-7(8)9/h2-6,10H,1H3
InChIKeyLURCQPDCRKARFF-UHFFFAOYSA-N
XLogP1.57
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1H-indole;3-methylsulfonyl-1H-indole
CID 167634446
1H-indole-3-sulfonohydrazide
CID 82284140
N-chloro-1H-indole-3-sulfonamide
CID 90719858
3-(1H-indol-3-ylsulfonyl)-2,2-dimethylpropan-1-ol
CID 116853109
2-(1H-indol-3-ylsulfonyl)-N,2-dimethylpropan-1-amine;molecular hydrogen
CID 166081963
2-(1H-indol-3-ylsulfonylamino)propanoic acid
CID 82487562
N-(2-aminoethyl)-1H-indole-3-sulfonamide
CID 82292478
3-(benzenesulfonyl)-1H-quinolin-4-one
CID 6619653
tert-butyl N-(1H-indol-3-ylsulfonyl)carbamate
CID 86620846
3-(4-ethylpiperazin-1-yl)sulfonyl-1H-indole
CID 176872867
potassium;hydride;1H-indol-3-ol;sulfuric acid
CID 173008142
3-(1-cyclobutylpiperidin-4-yl)sulfonyl-1H-indole
CID 175632717

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-1H-indole?
The IUPAC name of 3-methylsulfonyl-1H-indole (CID 86767790) is 3-methylsulfonyl-1H-indole.
What is the SMILES notation for 3-methylsulfonyl-1H-indole?
The canonical SMILES for 3-methylsulfonyl-1H-indole is CS(=O)(=O)c1c[nH]c2ccccc12.
What is the InChIKey of 3-methylsulfonyl-1H-indole?
The InChIKey is LURCQPDCRKARFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2S/c1-13(11,12)9-6-10-8-5-3-2-4-7(8)9/h2-6,10H,1H3.
What are the key properties of 3-methylsulfonyl-1H-indole?
3-methylsulfonyl-1H-indole has a molecular weight of 195.24 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-1H-indole is sourced from PubChem (CID 86767790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).