1-hydroxy-6-methylsulfonylindole

C9H9NO3S — CID 703538

IUPAC1-hydroxy-6-methylsulfonylindole
SMILESCS(=O)(=O)c1ccc2ccn(O)c2c1
InChIInChI=1S/C9H9NO3S/c1-14(12,13)8-3-2-7-4-5-10(11)9(7)6-8/h2-6,11H,1H3
InChIKeyDSXUTUMPWBBNSD-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.28
Rot. Bonds1

About 1-hydroxy-6-methylsulfonylindole

1-hydroxy-6-methylsulfonylindole (PubChem CID 703538) has the molecular formula C9H9NO3S and a molecular weight of 211.24 g/mol. Its IUPAC name is 1-hydroxy-6-methylsulfonylindole.

Molecular Properties

Compound Name1-hydroxy-6-methylsulfonylindole
PubChem CID703538
Molecular FormulaC9H9NO3S
Molecular Weight211.24 g/mol
Exact Mass211.03
IUPAC Name1-hydroxy-6-methylsulfonylindole
SMILESCS(=O)(=O)c1ccc2ccn(O)c2c1
InChIInChI=1S/C9H9NO3S/c1-14(12,13)8-3-2-7-4-5-10(11)9(7)6-8/h2-6,11H,1H3
InChIKeyDSXUTUMPWBBNSD-UHFFFAOYSA-N
XLogP1.28
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-(Phenylsulfonyl)-1H-indole
CID 315017
1-(4-(methylsulfonyl)phenyl)-1H-indole
CID 11958319
Flipped tryptamine derivative, 10
CID 24768515
N,N-dimethyl-2-(1-tosyl-1H-indol-3-yl)ethanamine
CID 44438719
3-((4-Fluorobenzyl)sulfonyl)-1-methyl-1H-indole
CID 2157568
[2-(3-Benzenesulfonyl-4-fluoro-indol-1-yl)-ethyl]-dimethyl-amine
CID 10315621
1-(4-Methylphenyl)sulfonyl-3-phenylindole
CID 11302446
[2-(3-Benzenesulfonyl-indol-1-yl)-ethyl]-dimethyl-amine
CID 12147013
N-Methyl-3-thiocyanatoindole
CID 10921283
1-(phenylsulfonyl)-1H-indol-3-ylboronic acid
CID 2776217
Dimethyl-{2-[3-(toluene-4-sulfonyl)-indol-1-yl]-ethyl}-amine
CID 44395604
[2-(3-Benzenesulfonyl-6-fluoro-indol-1-yl)-ethyl]-dimethyl-amine
CID 44395632

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-6-methylsulfonylindole?
The IUPAC name of 1-hydroxy-6-methylsulfonylindole (CID 703538) is 1-hydroxy-6-methylsulfonylindole.
What is the SMILES notation for 1-hydroxy-6-methylsulfonylindole?
The canonical SMILES for 1-hydroxy-6-methylsulfonylindole is CS(=O)(=O)c1ccc2ccn(O)c2c1.
What is the InChIKey of 1-hydroxy-6-methylsulfonylindole?
The InChIKey is DSXUTUMPWBBNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3S/c1-14(12,13)8-3-2-7-4-5-10(11)9(7)6-8/h2-6,11H,1H3.
What are the key properties of 1-hydroxy-6-methylsulfonylindole?
1-hydroxy-6-methylsulfonylindole has a molecular weight of 211.24 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-6-methylsulfonylindole is sourced from PubChem (CID 703538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).