5-[(4-chlorophenyl)sulfonylmethyl]-1,2-dihydropyrazol-3-one

C10H9ClN2O3S — CID 46215255

IUPAC5-[(4-chlorophenyl)sulfonylmethyl]-1,2-dihydropyrazol-3-one
SMILESO=c1cc(CS(=O)(=O)c2ccc(Cl)cc2)[nH][nH]1
InChIInChI=1S/C10H9ClN2O3S/c11-7-1-3-9(4-2-7)17(15,16)6-8-5-10(14)13-12-8/h1-5H,6H2,(H2,12,13,14)
InChIKeyYTPVCZIIXMZKHA-UHFFFAOYSA-N
MW272.71 g/mol
LogP1.33
Rot. Bonds3

About 5-[(4-chlorophenyl)sulfonylmethyl]-1,2-dihydropyrazol-3-one

5-[(4-chlorophenyl)sulfonylmethyl]-1,2-dihydropyrazol-3-one (PubChem CID 46215255) has the molecular formula C10H9ClN2O3S and a molecular weight of 272.71 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)sulfonylmethyl]-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name5-[(4-chlorophenyl)sulfonylmethyl]-1,2-dihydropyrazol-3-one
PubChem CID46215255
Molecular FormulaC10H9ClN2O3S
Molecular Weight272.71 g/mol
Exact Mass272.00
IUPAC Name5-[(4-chlorophenyl)sulfonylmethyl]-1,2-dihydropyrazol-3-one
SMILESO=c1cc(CS(=O)(=O)c2ccc(Cl)cc2)[nH][nH]1
InChIInChI=1S/C10H9ClN2O3S/c11-7-1-3-9(4-2-7)17(15,16)6-8-5-10(14)13-12-8/h1-5H,6H2,(H2,12,13,14)
InChIKeyYTPVCZIIXMZKHA-UHFFFAOYSA-N
XLogP1.33
TPSA82.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.71
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)sulfonylmethyl]-1,2-dihydropyrazol-3-one?
The IUPAC name of 5-[(4-chlorophenyl)sulfonylmethyl]-1,2-dihydropyrazol-3-one (CID 46215255) is 5-[(4-chlorophenyl)sulfonylmethyl]-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 5-[(4-chlorophenyl)sulfonylmethyl]-1,2-dihydropyrazol-3-one?
The canonical SMILES for 5-[(4-chlorophenyl)sulfonylmethyl]-1,2-dihydropyrazol-3-one is O=c1cc(CS(=O)(=O)c2ccc(Cl)cc2)[nH][nH]1.
What is the InChIKey of 5-[(4-chlorophenyl)sulfonylmethyl]-1,2-dihydropyrazol-3-one?
The InChIKey is YTPVCZIIXMZKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O3S/c11-7-1-3-9(4-2-7)17(15,16)6-8-5-10(14)13-12-8/h1-5H,6H2,(H2,12,13,14).
What are the key properties of 5-[(4-chlorophenyl)sulfonylmethyl]-1,2-dihydropyrazol-3-one?
5-[(4-chlorophenyl)sulfonylmethyl]-1,2-dihydropyrazol-3-one has a molecular weight of 272.71 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)sulfonylmethyl]-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 46215255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).