1-[3-(4-chlorophenyl)sulfonyl-2-hydroxypropyl]pyrrolidin-2-one

C13H16ClNO4S — CID 2726010

IUPAC1-[3-(4-chlorophenyl)sulfonyl-2-hydroxypropyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC(O)CS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H16ClNO4S/c14-10-3-5-12(6-4-10)20(18,19)9-11(16)8-15-7-1-2-13(15)17/h3-6,11,16H,1-2,7-9H2
InChIKeyAOJUVACYBFAGGL-UHFFFAOYSA-N
MW317.79 g/mol
LogP1.10
Rot. Bonds5

About 1-[3-(4-chlorophenyl)sulfonyl-2-hydroxypropyl]pyrrolidin-2-one

1-[3-(4-chlorophenyl)sulfonyl-2-hydroxypropyl]pyrrolidin-2-one (PubChem CID 2726010) has the molecular formula C13H16ClNO4S and a molecular weight of 317.79 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)sulfonyl-2-hydroxypropyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-(4-chlorophenyl)sulfonyl-2-hydroxypropyl]pyrrolidin-2-one
PubChem CID2726010
Molecular FormulaC13H16ClNO4S
Molecular Weight317.79 g/mol
Exact Mass317.05
IUPAC Name1-[3-(4-chlorophenyl)sulfonyl-2-hydroxypropyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC(O)CS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H16ClNO4S/c14-10-3-5-12(6-4-10)20(18,19)9-11(16)8-15-7-1-2-13(15)17/h3-6,11,16H,1-2,7-9H2
InChIKeyAOJUVACYBFAGGL-UHFFFAOYSA-N
XLogP1.10
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.79
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenyl)sulfonyl-2-hydroxypropyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-(4-chlorophenyl)sulfonyl-2-hydroxypropyl]pyrrolidin-2-one (CID 2726010) is 1-[3-(4-chlorophenyl)sulfonyl-2-hydroxypropyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-(4-chlorophenyl)sulfonyl-2-hydroxypropyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-(4-chlorophenyl)sulfonyl-2-hydroxypropyl]pyrrolidin-2-one is O=C1CCCN1CC(O)CS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-[3-(4-chlorophenyl)sulfonyl-2-hydroxypropyl]pyrrolidin-2-one?
The InChIKey is AOJUVACYBFAGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO4S/c14-10-3-5-12(6-4-10)20(18,19)9-11(16)8-15-7-1-2-13(15)17/h3-6,11,16H,1-2,7-9H2.
What are the key properties of 1-[3-(4-chlorophenyl)sulfonyl-2-hydroxypropyl]pyrrolidin-2-one?
1-[3-(4-chlorophenyl)sulfonyl-2-hydroxypropyl]pyrrolidin-2-one has a molecular weight of 317.79 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenyl)sulfonyl-2-hydroxypropyl]pyrrolidin-2-one is sourced from PubChem (CID 2726010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).