1-(3-hydroxy-1H-indol-2-yl)-2-methylsulfonylethanone

C11H11NO4S — CID 12511317

IUPAC1-(3-hydroxy-1H-indol-2-yl)-2-methylsulfonylethanone
SMILESCS(=O)(=O)CC(=O)c1[nH]c2ccccc2c1O
InChIInChI=1S/C11H11NO4S/c1-17(15,16)6-9(13)10-11(14)7-4-2-3-5-8(7)12-10/h2-5,12,14H,6H2,1H3
InChIKeyMUDDXGNJPIBHKZ-UHFFFAOYSA-N
MW253.28 g/mol
LogP1.10
Rot. Bonds3

About 1-(3-hydroxy-1H-indol-2-yl)-2-methylsulfonylethanone

1-(3-hydroxy-1H-indol-2-yl)-2-methylsulfonylethanone (PubChem CID 12511317) has the molecular formula C11H11NO4S and a molecular weight of 253.28 g/mol. Its IUPAC name is 1-(3-hydroxy-1H-indol-2-yl)-2-methylsulfonylethanone.

Molecular Properties

Compound Name1-(3-hydroxy-1H-indol-2-yl)-2-methylsulfonylethanone
PubChem CID12511317
Molecular FormulaC11H11NO4S
Molecular Weight253.28 g/mol
Exact Mass253.04
IUPAC Name1-(3-hydroxy-1H-indol-2-yl)-2-methylsulfonylethanone
SMILESCS(=O)(=O)CC(=O)c1[nH]c2ccccc2c1O
InChIInChI=1S/C11H11NO4S/c1-17(15,16)6-9(13)10-11(14)7-4-2-3-5-8(7)12-10/h2-5,12,14H,6H2,1H3
InChIKeyMUDDXGNJPIBHKZ-UHFFFAOYSA-N
XLogP1.10
TPSA87.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3-hydroxy-1H-indol-2-yl)-2-methylsulfonylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(3-hydroxy-1H-indol-2-yl)methanone
CID 151180929
9H-carbazole;ethanol;methanesulfonic acid
CID 174896622
CID 131863122
CID 131863122
2-methyl-1H-indole-3-sulfonic acid
CID 54301014
methyl 3-propanoyl-1H-indole-2-carboxylate
CID 23245117
1-(2-methylnaphthalen-1-yl)-2-methylsulfonylethanone
CID 81428930
ethyl 3-amino-2-[(3-hydroxy-1H-indole-2-carbonyl)amino]propanoate
CID 153402560
1-(2-hydroxy-1H-indol-3-yl)propan-1-one
CID 15650287
9H-carbazole;propanoic acid
CID 68841226
ethane;4-hydroxy-3-methyl-1H-quinolin-2-one
CID 142092755
3-bromo-1H-indole-2-carboxylate
CID 2325687
9H-carbazole;carbonic acid
CID 67577328

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-1H-indol-2-yl)-2-methylsulfonylethanone?
The IUPAC name of 1-(3-hydroxy-1H-indol-2-yl)-2-methylsulfonylethanone (CID 12511317) is 1-(3-hydroxy-1H-indol-2-yl)-2-methylsulfonylethanone.
What is the SMILES notation for 1-(3-hydroxy-1H-indol-2-yl)-2-methylsulfonylethanone?
The canonical SMILES for 1-(3-hydroxy-1H-indol-2-yl)-2-methylsulfonylethanone is CS(=O)(=O)CC(=O)c1[nH]c2ccccc2c1O.
What is the InChIKey of 1-(3-hydroxy-1H-indol-2-yl)-2-methylsulfonylethanone?
The InChIKey is MUDDXGNJPIBHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4S/c1-17(15,16)6-9(13)10-11(14)7-4-2-3-5-8(7)12-10/h2-5,12,14H,6H2,1H3.
What are the key properties of 1-(3-hydroxy-1H-indol-2-yl)-2-methylsulfonylethanone?
1-(3-hydroxy-1H-indol-2-yl)-2-methylsulfonylethanone has a molecular weight of 253.28 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-1H-indol-2-yl)-2-methylsulfonylethanone is sourced from PubChem (CID 12511317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).