1-(3-chloro-2-hydroxyphenyl)-4-sulfanylpyrrolidin-2-one

C10H10ClNO2S — CID 168710558

IUPAC1-(3-chloro-2-hydroxyphenyl)-4-sulfanylpyrrolidin-2-one
SMILESO=C1CC(S)CN1c1cccc(Cl)c1O
InChIInChI=1S/C10H10ClNO2S/c11-7-2-1-3-8(10(7)14)12-5-6(15)4-9(12)13/h1-3,6,14-15H,4-5H2
InChIKeyWXKXBUWNSTXUNS-UHFFFAOYSA-N
MW243.71 g/mol
LogP2.08
Rot. Bonds1

About 1-(3-chloro-2-hydroxyphenyl)-4-sulfanylpyrrolidin-2-one

1-(3-chloro-2-hydroxyphenyl)-4-sulfanylpyrrolidin-2-one (PubChem CID 168710558) has the molecular formula C10H10ClNO2S and a molecular weight of 243.71 g/mol. Its IUPAC name is 1-(3-chloro-2-hydroxyphenyl)-4-sulfanylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-chloro-2-hydroxyphenyl)-4-sulfanylpyrrolidin-2-one
PubChem CID168710558
Molecular FormulaC10H10ClNO2S
Molecular Weight243.71 g/mol
Exact Mass243.01
IUPAC Name1-(3-chloro-2-hydroxyphenyl)-4-sulfanylpyrrolidin-2-one
SMILESO=C1CC(S)CN1c1cccc(Cl)c1O
InChIInChI=1S/C10H10ClNO2S/c11-7-2-1-3-8(10(7)14)12-5-6(15)4-9(12)13/h1-3,6,14-15H,4-5H2
InChIKeyWXKXBUWNSTXUNS-UHFFFAOYSA-N
XLogP2.08
TPSA40.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chlorophenyl)-4-sulfanylpyrrolidin-2-one
CID 168710154
1-(3-chloro-2-hydroxyphenyl)-4-hydroxypyrrolidin-2-one
CID 168703922
3-chloro-2-(2-oxo-4-sulfanylpyrrolidin-1-yl)benzonitrile
CID 168709631
1-(2-chloro-4,5-difluorophenyl)-4-sulfanylpyrrolidin-2-one
CID 168709794
1-(4-chloro-2,5-dimethylphenyl)-4-sulfanylpyrrolidin-2-one
CID 168709013
1-[2-(dimethylamino)phenyl]-4-sulfanylpyrrolidin-2-one
CID 168708351
1-[2-methyl-3-(trifluoromethyl)phenyl]-4-sulfanylpyrrolidin-2-one
CID 168708962
1-(8-chloronaphthalen-1-yl)-4-hydroxypyrrolidin-2-one
CID 168703739
1-(2-chloro-6-methyl-3-pyridinyl)-4-sulfanylpyrrolidin-2-one
CID 168708954
3-hydroxy-2-(2-oxo-4-sulfanylpyrrolidin-1-yl)benzoic acid
CID 168709745
1-(2-chloroquinolin-4-yl)-4-sulfanylpyrrolidin-2-one
CID 168710443
(3S)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 42579807

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-hydroxyphenyl)-4-sulfanylpyrrolidin-2-one?
The IUPAC name of 1-(3-chloro-2-hydroxyphenyl)-4-sulfanylpyrrolidin-2-one (CID 168710558) is 1-(3-chloro-2-hydroxyphenyl)-4-sulfanylpyrrolidin-2-one.
What is the SMILES notation for 1-(3-chloro-2-hydroxyphenyl)-4-sulfanylpyrrolidin-2-one?
The canonical SMILES for 1-(3-chloro-2-hydroxyphenyl)-4-sulfanylpyrrolidin-2-one is O=C1CC(S)CN1c1cccc(Cl)c1O.
What is the InChIKey of 1-(3-chloro-2-hydroxyphenyl)-4-sulfanylpyrrolidin-2-one?
The InChIKey is WXKXBUWNSTXUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO2S/c11-7-2-1-3-8(10(7)14)12-5-6(15)4-9(12)13/h1-3,6,14-15H,4-5H2.
What are the key properties of 1-(3-chloro-2-hydroxyphenyl)-4-sulfanylpyrrolidin-2-one?
1-(3-chloro-2-hydroxyphenyl)-4-sulfanylpyrrolidin-2-one has a molecular weight of 243.71 g/mol, XLogP of 2.08, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-hydroxyphenyl)-4-sulfanylpyrrolidin-2-one is sourced from PubChem (CID 168710558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).