2-(4-methylphenyl)sulfonyl-1H-pyrazol-5-one

C10H10N2O3S — CID 11834388

IUPAC2-(4-methylphenyl)sulfonyl-1H-pyrazol-5-one
SMILESCc1ccc(S(=O)(=O)n2ccc(=O)[nH]2)cc1
InChIInChI=1S/C10H10N2O3S/c1-8-2-4-9(5-3-8)16(14,15)12-7-6-10(13)11-12/h2-7H,1H3,(H,11,13)
InChIKeyQVZYEDXYUYQUKH-UHFFFAOYSA-N
MW238.27 g/mol
LogP0.72
Rot. Bonds2

About 2-(4-methylphenyl)sulfonyl-1H-pyrazol-5-one

2-(4-methylphenyl)sulfonyl-1H-pyrazol-5-one (PubChem CID 11834388) has the molecular formula C10H10N2O3S and a molecular weight of 238.27 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfonyl-1H-pyrazol-5-one.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfonyl-1H-pyrazol-5-one
PubChem CID11834388
Molecular FormulaC10H10N2O3S
Molecular Weight238.27 g/mol
Exact Mass238.04
IUPAC Name2-(4-methylphenyl)sulfonyl-1H-pyrazol-5-one
SMILESCc1ccc(S(=O)(=O)n2ccc(=O)[nH]2)cc1
InChIInChI=1S/C10H10N2O3S/c1-8-2-4-9(5-3-8)16(14,15)12-7-6-10(13)11-12/h2-7H,1H3,(H,11,13)
InChIKeyQVZYEDXYUYQUKH-UHFFFAOYSA-N
XLogP0.72
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfonyl-1H-pyrazol-5-one?
The IUPAC name of 2-(4-methylphenyl)sulfonyl-1H-pyrazol-5-one (CID 11834388) is 2-(4-methylphenyl)sulfonyl-1H-pyrazol-5-one.
What is the SMILES notation for 2-(4-methylphenyl)sulfonyl-1H-pyrazol-5-one?
The canonical SMILES for 2-(4-methylphenyl)sulfonyl-1H-pyrazol-5-one is Cc1ccc(S(=O)(=O)n2ccc(=O)[nH]2)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfonyl-1H-pyrazol-5-one?
The InChIKey is QVZYEDXYUYQUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3S/c1-8-2-4-9(5-3-8)16(14,15)12-7-6-10(13)11-12/h2-7H,1H3,(H,11,13).
What are the key properties of 2-(4-methylphenyl)sulfonyl-1H-pyrazol-5-one?
2-(4-methylphenyl)sulfonyl-1H-pyrazol-5-one has a molecular weight of 238.27 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfonyl-1H-pyrazol-5-one is sourced from PubChem (CID 11834388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).