1-(benzenesulfonyl)pyrazolidin-3-one

C9H10N2O3S — CID 1487853

IUPAC1-(benzenesulfonyl)pyrazolidin-3-one
SMILESO=C1CCN(S(=O)(=O)c2ccccc2)N1
InChIInChI=1S/C9H10N2O3S/c12-9-6-7-11(10-9)15(13,14)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,12)
InChIKeySFRUXVFIUOZPQP-UHFFFAOYSA-N
MW226.26 g/mol
LogP0.11
Rot. Bonds2

About 1-(benzenesulfonyl)pyrazolidin-3-one

1-(benzenesulfonyl)pyrazolidin-3-one (PubChem CID 1487853) has the molecular formula C9H10N2O3S and a molecular weight of 226.26 g/mol. Its IUPAC name is 1-(benzenesulfonyl)pyrazolidin-3-one.

Molecular Properties

Compound Name1-(benzenesulfonyl)pyrazolidin-3-one
PubChem CID1487853
Molecular FormulaC9H10N2O3S
Molecular Weight226.26 g/mol
Exact Mass226.04
IUPAC Name1-(benzenesulfonyl)pyrazolidin-3-one
SMILESO=C1CCN(S(=O)(=O)c2ccccc2)N1
InChIInChI=1S/C9H10N2O3S/c12-9-6-7-11(10-9)15(13,14)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,12)
InChIKeySFRUXVFIUOZPQP-UHFFFAOYSA-N
XLogP0.11
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)pyrazolidin-3-one?
The IUPAC name of 1-(benzenesulfonyl)pyrazolidin-3-one (CID 1487853) is 1-(benzenesulfonyl)pyrazolidin-3-one.
What is the SMILES notation for 1-(benzenesulfonyl)pyrazolidin-3-one?
The canonical SMILES for 1-(benzenesulfonyl)pyrazolidin-3-one is O=C1CCN(S(=O)(=O)c2ccccc2)N1.
What is the InChIKey of 1-(benzenesulfonyl)pyrazolidin-3-one?
The InChIKey is SFRUXVFIUOZPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3S/c12-9-6-7-11(10-9)15(13,14)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,12).
What are the key properties of 1-(benzenesulfonyl)pyrazolidin-3-one?
1-(benzenesulfonyl)pyrazolidin-3-one has a molecular weight of 226.26 g/mol, XLogP of 0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)pyrazolidin-3-one is sourced from PubChem (CID 1487853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).