1-[2-(4-chlorophenyl)sulfanylacetyl]pyrazolidin-3-one

C11H11ClN2O2S — CID 1487857

IUPAC1-[2-(4-chlorophenyl)sulfanylacetyl]pyrazolidin-3-one
SMILESO=C1CCN(C(=O)CSc2ccc(Cl)cc2)N1
InChIInChI=1S/C11H11ClN2O2S/c12-8-1-3-9(4-2-8)17-7-11(16)14-6-5-10(15)13-14/h1-4H,5-7H2,(H,13,15)
InChIKeyLKQVZRPJVIKVPN-UHFFFAOYSA-N
MW270.74 g/mol
LogP1.70
Rot. Bonds3

About 1-[2-(4-chlorophenyl)sulfanylacetyl]pyrazolidin-3-one

1-[2-(4-chlorophenyl)sulfanylacetyl]pyrazolidin-3-one (PubChem CID 1487857) has the molecular formula C11H11ClN2O2S and a molecular weight of 270.74 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)sulfanylacetyl]pyrazolidin-3-one.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)sulfanylacetyl]pyrazolidin-3-one
PubChem CID1487857
Molecular FormulaC11H11ClN2O2S
Molecular Weight270.74 g/mol
Exact Mass270.02
IUPAC Name1-[2-(4-chlorophenyl)sulfanylacetyl]pyrazolidin-3-one
SMILESO=C1CCN(C(=O)CSc2ccc(Cl)cc2)N1
InChIInChI=1S/C11H11ClN2O2S/c12-8-1-3-9(4-2-8)17-7-11(16)14-6-5-10(15)13-14/h1-4H,5-7H2,(H,13,15)
InChIKeyLKQVZRPJVIKVPN-UHFFFAOYSA-N
XLogP1.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.74
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)sulfanylacetyl]pyrazolidin-3-one?
The IUPAC name of 1-[2-(4-chlorophenyl)sulfanylacetyl]pyrazolidin-3-one (CID 1487857) is 1-[2-(4-chlorophenyl)sulfanylacetyl]pyrazolidin-3-one.
What is the SMILES notation for 1-[2-(4-chlorophenyl)sulfanylacetyl]pyrazolidin-3-one?
The canonical SMILES for 1-[2-(4-chlorophenyl)sulfanylacetyl]pyrazolidin-3-one is O=C1CCN(C(=O)CSc2ccc(Cl)cc2)N1.
What is the InChIKey of 1-[2-(4-chlorophenyl)sulfanylacetyl]pyrazolidin-3-one?
The InChIKey is LKQVZRPJVIKVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2S/c12-8-1-3-9(4-2-8)17-7-11(16)14-6-5-10(15)13-14/h1-4H,5-7H2,(H,13,15).
What are the key properties of 1-[2-(4-chlorophenyl)sulfanylacetyl]pyrazolidin-3-one?
1-[2-(4-chlorophenyl)sulfanylacetyl]pyrazolidin-3-one has a molecular weight of 270.74 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)sulfanylacetyl]pyrazolidin-3-one is sourced from PubChem (CID 1487857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).