3-hydroxy-3-(4-sulfanylphenyl)-1H-indol-2-one

C14H11NO2S — CID 178047804

IUPAC3-hydroxy-3-(4-sulfanylphenyl)-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1(O)c1ccc(S)cc1
InChIInChI=1S/C14H11NO2S/c16-13-14(17,9-5-7-10(18)8-6-9)11-3-1-2-4-12(11)15-13/h1-8,17-18H,(H,15,16)
InChIKeyFLKMRYZVKAXHEV-UHFFFAOYSA-N
MW257.31 g/mol
LogP2.16
Rot. Bonds1

About 3-hydroxy-3-(4-sulfanylphenyl)-1H-indol-2-one

3-hydroxy-3-(4-sulfanylphenyl)-1H-indol-2-one (PubChem CID 178047804) has the molecular formula C14H11NO2S and a molecular weight of 257.31 g/mol. Its IUPAC name is 3-hydroxy-3-(4-sulfanylphenyl)-1H-indol-2-one.

Molecular Properties

Compound Name3-hydroxy-3-(4-sulfanylphenyl)-1H-indol-2-one
PubChem CID178047804
Molecular FormulaC14H11NO2S
Molecular Weight257.31 g/mol
Exact Mass257.05
IUPAC Name3-hydroxy-3-(4-sulfanylphenyl)-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1(O)c1ccc(S)cc1
InChIInChI=1S/C14H11NO2S/c16-13-14(17,9-5-7-10(18)8-6-9)11-3-1-2-4-12(11)15-13/h1-8,17-18H,(H,15,16)
InChIKeyFLKMRYZVKAXHEV-UHFFFAOYSA-N
XLogP2.16
TPSA49.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-hydroxy-3-(2-hydroxyphenyl)-1H-indol-2-one
CID 7102076
3-(2,6-difluorophenyl)-3-hydroxy-1H-indol-2-one
CID 83036180
3-hydroxy-3-(6-methoxy-3-pyridinyl)-1H-indol-2-one
CID 163232483
3-hydroxy-3-[4-(morpholin-4-ylmethyl)phenyl]-1H-indol-2-one
CID 90089302
(3R)-3-hydroxy-3-(2-methoxyphenyl)-1H-indol-2-one
CID 7333204
3-(3-ethoxyphenyl)-3-hydroxy-1H-indol-2-one
CID 83036799
(3S)-3-hydroxy-3-(1H-indol-3-yl)-1H-indol-2-one
CID 757506
3-hydroxy-3-(1H-indol-2-yl)-1H-indol-2-one
CID 56687828
3-(5-bromo-2-fluorophenyl)-3-hydroxy-1H-indol-2-one
CID 83037208
3-(4-bromo-1,3-thiazol-5-yl)-3-hydroxy-1H-indol-2-one
CID 114102823
3-hydroxy-3-(2-methyl-1H-indol-3-yl)-1H-indol-2-one
CID 4555359
3-hydroxy-3-(2-hydroxy-5-methoxyphenyl)-1H-indol-2-one
CID 15857499

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-(4-sulfanylphenyl)-1H-indol-2-one?
The IUPAC name of 3-hydroxy-3-(4-sulfanylphenyl)-1H-indol-2-one (CID 178047804) is 3-hydroxy-3-(4-sulfanylphenyl)-1H-indol-2-one.
What is the SMILES notation for 3-hydroxy-3-(4-sulfanylphenyl)-1H-indol-2-one?
The canonical SMILES for 3-hydroxy-3-(4-sulfanylphenyl)-1H-indol-2-one is O=C1Nc2ccccc2C1(O)c1ccc(S)cc1.
What is the InChIKey of 3-hydroxy-3-(4-sulfanylphenyl)-1H-indol-2-one?
The InChIKey is FLKMRYZVKAXHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2S/c16-13-14(17,9-5-7-10(18)8-6-9)11-3-1-2-4-12(11)15-13/h1-8,17-18H,(H,15,16).
What are the key properties of 3-hydroxy-3-(4-sulfanylphenyl)-1H-indol-2-one?
3-hydroxy-3-(4-sulfanylphenyl)-1H-indol-2-one has a molecular weight of 257.31 g/mol, XLogP of 2.16, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-(4-sulfanylphenyl)-1H-indol-2-one is sourced from PubChem (CID 178047804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).