4-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)-N-methylbenzenesulfonamide

C12H15N3O3S — CID 129057200

IUPAC4-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(-c2[nH]n(C)c(=O)c2C)cc1
InChIInChI=1S/C12H15N3O3S/c1-8-11(14-15(3)12(8)16)9-4-6-10(7-5-9)19(17,18)13-2/h4-7,13-14H,1-3H3
InChIKeyJUOQDVAXFNROHP-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.60
Rot. Bonds3

About 4-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)-N-methylbenzenesulfonamide

4-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)-N-methylbenzenesulfonamide (PubChem CID 129057200) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is 4-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)-N-methylbenzenesulfonamide
PubChem CID129057200
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Name4-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(-c2[nH]n(C)c(=O)c2C)cc1
InChIInChI=1S/C12H15N3O3S/c1-8-11(14-15(3)12(8)16)9-4-6-10(7-5-9)19(17,18)13-2/h4-7,13-14H,1-3H3
InChIKeyJUOQDVAXFNROHP-UHFFFAOYSA-N
XLogP0.60
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethyl-N'-[(4-methylphenyl)sulfonyl]-2-thioxo-2,3-dihydro-1,3-thiazole-5-carbohydrazide
CID 5123267
4-(hydrazinecarbonyl)-N,N-dimethylbenzenesulfonamide
CID 5051755
4-[3-oxo-2-(2,2,2-trifluoroethyl)-1H-pyrazol-5-yl]benzenesulfonic acid
CID 54040389
5-(3-fluoro-4-methylsulfanylphenyl)-2,4-dimethyl-1H-pyrazol-3-one
CID 118538058
5-[4-(4,4-difluoropiperidin-1-yl)sulfonylphenyl]-2-methyl-1H-pyrazol-3-one
CID 118538474
4-Methyl-5,5-dioxo-1,2-dihydropyrazolo[4,3-c][1,2]benzothiazin-3-one
CID 12422737
2-methyl-3-oxo-5-phenyl-1H-pyrazole-4-sulfonic acid
CID 53843656
2-(2-Aminoethyl)-6-(4-methylphenyl)sulfonyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 69934825
2-methyl-5-(4-methylsulfanylphenyl)-1H-pyrazol-3-one
CID 86063726
3-[(5-methyl-3-oxo-1H-pyrazol-2-yl)methyl]benzenesulfonic acid
CID 87142689
4-[(5-methyl-3-oxo-1H-pyrazol-2-yl)methyl]benzenesulfonic acid
CID 87142698
4-(5-Oxo-1,2-dihydropyrazol-3-yl)benzenesulfonic acid
CID 87142777

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)-N-methylbenzenesulfonamide?
The IUPAC name of 4-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)-N-methylbenzenesulfonamide (CID 129057200) is 4-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(-c2[nH]n(C)c(=O)c2C)cc1.
What is the InChIKey of 4-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)-N-methylbenzenesulfonamide?
The InChIKey is JUOQDVAXFNROHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-8-11(14-15(3)12(8)16)9-4-6-10(7-5-9)19(17,18)13-2/h4-7,13-14H,1-3H3.
What are the key properties of 4-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)-N-methylbenzenesulfonamide?
4-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)-N-methylbenzenesulfonamide has a molecular weight of 281.34 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 129057200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).