2-(2-hydroxyphenyl)sulfanylisoindole-1,3-dione

C14H9NO3S — CID 164576199

IUPAC2-(2-hydroxyphenyl)sulfanylisoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Sc1ccccc1O
InChIInChI=1S/C14H9NO3S/c16-11-7-3-4-8-12(11)19-15-13(17)9-5-1-2-6-10(9)14(15)18/h1-8,16H
InChIKeyPBVZGDQKXVGISV-UHFFFAOYSA-N
MW271.30 g/mol
LogP2.70
Rot. Bonds2

About 2-(2-hydroxyphenyl)sulfanylisoindole-1,3-dione

2-(2-hydroxyphenyl)sulfanylisoindole-1,3-dione (PubChem CID 164576199) has the molecular formula C14H9NO3S and a molecular weight of 271.30 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)sulfanylisoindole-1,3-dione.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)sulfanylisoindole-1,3-dione
PubChem CID164576199
Molecular FormulaC14H9NO3S
Molecular Weight271.30 g/mol
Exact Mass271.03
IUPAC Name2-(2-hydroxyphenyl)sulfanylisoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Sc1ccccc1O
InChIInChI=1S/C14H9NO3S/c16-11-7-3-4-8-12(11)19-15-13(17)9-5-1-2-6-10(9)14(15)18/h1-8,16H
InChIKeyPBVZGDQKXVGISV-UHFFFAOYSA-N
XLogP2.70
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-hydroxynaphthalen-2-yl)sulfanylisoindole-1,3-dione
CID 102022116
2-(5-tert-butyl-2-methylphenyl)sulfanylisoindole-1,3-dione
CID 142466860
2-(2-hydroxy-4-methoxynaphthalen-1-yl)sulfanylisoindole-1,3-dione
CID 101082616
2-(1,2,2-trichloroethylsulfanyl)isoindole-1,3-dione
CID 139651000
2-hydroxyisoindole-1,3-dione
CID 66775726
methyl (1,3-dioxoisoindol-2-yl)sulfanylformate
CID 13367326
azane;2-hydroxyisoindole-1,3-dione
CID 67653341
CID 66974961
CID 66974961
2-(3-tert-butylphenyl)sulfanylisoindole-1,3-dione
CID 142466852
2-phenacylsulfanylisoindole-1,3-dione
CID 10935370
2-(2-hydroxyphenyl)sulfanyl-3-methylnaphthalene-1,4-dione
CID 102099978
2-[(4-hydroxynaphthalen-1-yl)sulfanylmethyl]isoindole-1,3-dione
CID 130649551

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)sulfanylisoindole-1,3-dione?
The IUPAC name of 2-(2-hydroxyphenyl)sulfanylisoindole-1,3-dione (CID 164576199) is 2-(2-hydroxyphenyl)sulfanylisoindole-1,3-dione.
What is the SMILES notation for 2-(2-hydroxyphenyl)sulfanylisoindole-1,3-dione?
The canonical SMILES for 2-(2-hydroxyphenyl)sulfanylisoindole-1,3-dione is O=C1c2ccccc2C(=O)N1Sc1ccccc1O.
What is the InChIKey of 2-(2-hydroxyphenyl)sulfanylisoindole-1,3-dione?
The InChIKey is PBVZGDQKXVGISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO3S/c16-11-7-3-4-8-12(11)19-15-13(17)9-5-1-2-6-10(9)14(15)18/h1-8,16H.
What are the key properties of 2-(2-hydroxyphenyl)sulfanylisoindole-1,3-dione?
2-(2-hydroxyphenyl)sulfanylisoindole-1,3-dione has a molecular weight of 271.30 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)sulfanylisoindole-1,3-dione is sourced from PubChem (CID 164576199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).