1-(4-methylphenyl)sulfonylpyrazolidin-3-one

C10H12N2O3S — CID 1487856

IUPAC1-(4-methylphenyl)sulfonylpyrazolidin-3-one
SMILESCc1ccc(S(=O)(=O)N2CCC(=O)N2)cc1
InChIInChI=1S/C10H12N2O3S/c1-8-2-4-9(5-3-8)16(14,15)12-7-6-10(13)11-12/h2-5H,6-7H2,1H3,(H,11,13)
InChIKeyGJOZCHSGDCFAAK-UHFFFAOYSA-N
MW240.28 g/mol
LogP0.42
Rot. Bonds2

About 1-(4-methylphenyl)sulfonylpyrazolidin-3-one

1-(4-methylphenyl)sulfonylpyrazolidin-3-one (PubChem CID 1487856) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonylpyrazolidin-3-one.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonylpyrazolidin-3-one
PubChem CID1487856
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC Name1-(4-methylphenyl)sulfonylpyrazolidin-3-one
SMILESCc1ccc(S(=O)(=O)N2CCC(=O)N2)cc1
InChIInChI=1S/C10H12N2O3S/c1-8-2-4-9(5-3-8)16(14,15)12-7-6-10(13)11-12/h2-5H,6-7H2,1H3,(H,11,13)
InChIKeyGJOZCHSGDCFAAK-UHFFFAOYSA-N
XLogP0.42
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonylpyrazolidin-3-one?
The IUPAC name of 1-(4-methylphenyl)sulfonylpyrazolidin-3-one (CID 1487856) is 1-(4-methylphenyl)sulfonylpyrazolidin-3-one.
What is the SMILES notation for 1-(4-methylphenyl)sulfonylpyrazolidin-3-one?
The canonical SMILES for 1-(4-methylphenyl)sulfonylpyrazolidin-3-one is Cc1ccc(S(=O)(=O)N2CCC(=O)N2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonylpyrazolidin-3-one?
The InChIKey is GJOZCHSGDCFAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S/c1-8-2-4-9(5-3-8)16(14,15)12-7-6-10(13)11-12/h2-5H,6-7H2,1H3,(H,11,13).
What are the key properties of 1-(4-methylphenyl)sulfonylpyrazolidin-3-one?
1-(4-methylphenyl)sulfonylpyrazolidin-3-one has a molecular weight of 240.28 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonylpyrazolidin-3-one is sourced from PubChem (CID 1487856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).