4-(5-methyl-3-oxo-1H-pyrazol-2-yl)benzenesulfonamide

C10H11N3O3S — CID 18756435

IUPAC4-(5-methyl-3-oxo-1H-pyrazol-2-yl)benzenesulfonamide
SMILESCc1cc(=O)n(-c2ccc(S(N)(=O)=O)cc2)[nH]1
InChIInChI=1S/C10H11N3O3S/c1-7-6-10(14)13(12-7)8-2-4-9(5-3-8)17(11,15)16/h2-6,12H,1H3,(H2,11,15,16)
InChIKeyTVTKBOUBKYYYEX-UHFFFAOYSA-N
MW253.28 g/mol
LogP0.12
Rot. Bonds2

About 4-(5-methyl-3-oxo-1H-pyrazol-2-yl)benzenesulfonamide

4-(5-methyl-3-oxo-1H-pyrazol-2-yl)benzenesulfonamide (PubChem CID 18756435) has the molecular formula C10H11N3O3S and a molecular weight of 253.28 g/mol. Its IUPAC name is 4-(5-methyl-3-oxo-1H-pyrazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(5-methyl-3-oxo-1H-pyrazol-2-yl)benzenesulfonamide
PubChem CID18756435
Molecular FormulaC10H11N3O3S
Molecular Weight253.28 g/mol
Exact Mass253.05
IUPAC Name4-(5-methyl-3-oxo-1H-pyrazol-2-yl)benzenesulfonamide
SMILESCc1cc(=O)n(-c2ccc(S(N)(=O)=O)cc2)[nH]1
InChIInChI=1S/C10H11N3O3S/c1-7-6-10(14)13(12-7)8-2-4-9(5-3-8)17(11,15)16/h2-6,12H,1H3,(H2,11,15,16)
InChIKeyTVTKBOUBKYYYEX-UHFFFAOYSA-N
XLogP0.12
TPSA97.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(5-methyl-3-oxo-1H-pyrazol-2-yl)benzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-3-oxo-1H-pyrazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-(5-methyl-3-oxo-1H-pyrazol-2-yl)benzenesulfonamide (CID 18756435) is 4-(5-methyl-3-oxo-1H-pyrazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(5-methyl-3-oxo-1H-pyrazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(5-methyl-3-oxo-1H-pyrazol-2-yl)benzenesulfonamide is Cc1cc(=O)n(-c2ccc(S(N)(=O)=O)cc2)[nH]1.
What is the InChIKey of 4-(5-methyl-3-oxo-1H-pyrazol-2-yl)benzenesulfonamide?
The InChIKey is TVTKBOUBKYYYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3S/c1-7-6-10(14)13(12-7)8-2-4-9(5-3-8)17(11,15)16/h2-6,12H,1H3,(H2,11,15,16).
What are the key properties of 4-(5-methyl-3-oxo-1H-pyrazol-2-yl)benzenesulfonamide?
4-(5-methyl-3-oxo-1H-pyrazol-2-yl)benzenesulfonamide has a molecular weight of 253.28 g/mol, XLogP of 0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-3-oxo-1H-pyrazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 18756435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).