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

C9H9ClN2O3S — CID 1487854

IUPAC1-(4-chlorophenyl)sulfonylpyrazolidin-3-one
SMILESO=C1CCN(S(=O)(=O)c2ccc(Cl)cc2)N1
InChIInChI=1S/C9H9ClN2O3S/c10-7-1-3-8(4-2-7)16(14,15)12-6-5-9(13)11-12/h1-4H,5-6H2,(H,11,13)
InChIKeyBUCLMRDHFZIVOC-UHFFFAOYSA-N
MW260.70 g/mol
LogP0.77
Rot. Bonds2

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

1-(4-chlorophenyl)sulfonylpyrazolidin-3-one (PubChem CID 1487854) has the molecular formula C9H9ClN2O3S and a molecular weight of 260.70 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonylpyrazolidin-3-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonylpyrazolidin-3-one
PubChem CID1487854
Molecular FormulaC9H9ClN2O3S
Molecular Weight260.70 g/mol
Exact Mass260.00
IUPAC Name1-(4-chlorophenyl)sulfonylpyrazolidin-3-one
SMILESO=C1CCN(S(=O)(=O)c2ccc(Cl)cc2)N1
InChIInChI=1S/C9H9ClN2O3S/c10-7-1-3-8(4-2-7)16(14,15)12-6-5-9(13)11-12/h1-4H,5-6H2,(H,11,13)
InChIKeyBUCLMRDHFZIVOC-UHFFFAOYSA-N
XLogP0.77
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.70
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 1487853
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3-{[(4-Chlorophenyl)sulfonyl]amino}propanamide
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N'-(4-chlorophenyl)sulfonylacetohydrazide
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N'-(4-chlorophenyl)sulfonyl-4,4-difluorobutanehydrazide
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4-Chloro-N-hydrazinocarbonylmethyl-N-methyl-benzenesulfonamide
CID 2386052
3-{[(4-chlorophenyl)sulfonyl]amino}-N-(cyclopentylideneazamethyl)propanamide
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Propiohydrazide, 3-(4-chlorophenylsulfonylamido)-
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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonylpyrazolidin-3-one?
The IUPAC name of 1-(4-chlorophenyl)sulfonylpyrazolidin-3-one (CID 1487854) is 1-(4-chlorophenyl)sulfonylpyrazolidin-3-one.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonylpyrazolidin-3-one?
The canonical SMILES for 1-(4-chlorophenyl)sulfonylpyrazolidin-3-one is O=C1CCN(S(=O)(=O)c2ccc(Cl)cc2)N1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonylpyrazolidin-3-one?
The InChIKey is BUCLMRDHFZIVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O3S/c10-7-1-3-8(4-2-7)16(14,15)12-6-5-9(13)11-12/h1-4H,5-6H2,(H,11,13).
What are the key properties of 1-(4-chlorophenyl)sulfonylpyrazolidin-3-one?
1-(4-chlorophenyl)sulfonylpyrazolidin-3-one has a molecular weight of 260.70 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonylpyrazolidin-3-one is sourced from PubChem (CID 1487854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).