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

C13H17N3O3S — CID 118538532

IUPAC4-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)-N,N-dimethylbenzenesulfonamide
SMILESCc1c(-c2ccc(S(=O)(=O)N(C)C)cc2)[nH]n(C)c1=O
InChIInChI=1S/C13H17N3O3S/c1-9-12(14-16(4)13(9)17)10-5-7-11(8-6-10)20(18,19)15(2)3/h5-8,14H,1-4H3
InChIKeyTXJJGCSXIFXSOI-UHFFFAOYSA-N
MW295.36 g/mol
LogP0.94
Rot. Bonds3

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

4-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)-N,N-dimethylbenzenesulfonamide (PubChem CID 118538532) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 4-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)-N,N-dimethylbenzenesulfonamide
PubChem CID118538532
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name4-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)-N,N-dimethylbenzenesulfonamide
SMILESCc1c(-c2ccc(S(=O)(=O)N(C)C)cc2)[nH]n(C)c1=O
InChIInChI=1S/C13H17N3O3S/c1-9-12(14-16(4)13(9)17)10-5-7-11(8-6-10)20(18,19)15(2)3/h5-8,14H,1-4H3
InChIKeyTXJJGCSXIFXSOI-UHFFFAOYSA-N
XLogP0.94
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)-N,N-dimethylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-dipropylbenzenesulfonamide
CID 2803366
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-3-oxo-1H-pyrazole-4-carbaldehyde
CID 118538383
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-Benzyl-6-(4-methylphenyl)sulfonyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 67372590
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

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)-N,N-dimethylbenzenesulfonamide (CID 118538532) is 4-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)-N,N-dimethylbenzenesulfonamide is Cc1c(-c2ccc(S(=O)(=O)N(C)C)cc2)[nH]n(C)c1=O.
What is the InChIKey of 4-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)-N,N-dimethylbenzenesulfonamide?
The InChIKey is TXJJGCSXIFXSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-9-12(14-16(4)13(9)17)10-5-7-11(8-6-10)20(18,19)15(2)3/h5-8,14H,1-4H3.
What are the key properties of 4-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)-N,N-dimethylbenzenesulfonamide?
4-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)-N,N-dimethylbenzenesulfonamide has a molecular weight of 295.36 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 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,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 118538532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).