4-methyl-N-(5-methyl-4-oxo-2-phenylpyrazol-3-ylidene)benzenesulfonamide

C17H15N3O3S — CID 70423870

IUPAC4-methyl-N-(5-methyl-4-oxo-2-phenylpyrazol-3-ylidene)benzenesulfonamide
SMILESCC1=NN(c2ccccc2)C(=NS(=O)(=O)c2ccc(C)cc2)C1=O
InChIInChI=1S/C17H15N3O3S/c1-12-8-10-15(11-9-12)24(22,23)19-17-16(21)13(2)18-20(17)14-6-4-3-5-7-14/h3-11H,1-2H3
InChIKeyCUUZUHGOUNVBQY-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.55
Rot. Bonds3

About 4-methyl-N-(5-methyl-4-oxo-2-phenylpyrazol-3-ylidene)benzenesulfonamide

4-methyl-N-(5-methyl-4-oxo-2-phenylpyrazol-3-ylidene)benzenesulfonamide (PubChem CID 70423870) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is 4-methyl-N-(5-methyl-4-oxo-2-phenylpyrazol-3-ylidene)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(5-methyl-4-oxo-2-phenylpyrazol-3-ylidene)benzenesulfonamide
PubChem CID70423870
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC Name4-methyl-N-(5-methyl-4-oxo-2-phenylpyrazol-3-ylidene)benzenesulfonamide
SMILESCC1=NN(c2ccccc2)C(=NS(=O)(=O)c2ccc(C)cc2)C1=O
InChIInChI=1S/C17H15N3O3S/c1-12-8-10-15(11-9-12)24(22,23)19-17-16(21)13(2)18-20(17)14-6-4-3-5-7-14/h3-11H,1-2H3
InChIKeyCUUZUHGOUNVBQY-UHFFFAOYSA-N
XLogP2.55
TPSA79.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(5-methyl-4-oxo-2-phenylpyrazol-3-ylidene)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(5-methyl-4-oxo-2-phenylpyrazol-3-ylidene)benzenesulfonamide (CID 70423870) is 4-methyl-N-(5-methyl-4-oxo-2-phenylpyrazol-3-ylidene)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(5-methyl-4-oxo-2-phenylpyrazol-3-ylidene)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(5-methyl-4-oxo-2-phenylpyrazol-3-ylidene)benzenesulfonamide is CC1=NN(c2ccccc2)C(=NS(=O)(=O)c2ccc(C)cc2)C1=O.
What is the InChIKey of 4-methyl-N-(5-methyl-4-oxo-2-phenylpyrazol-3-ylidene)benzenesulfonamide?
The InChIKey is CUUZUHGOUNVBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S/c1-12-8-10-15(11-9-12)24(22,23)19-17-16(21)13(2)18-20(17)14-6-4-3-5-7-14/h3-11H,1-2H3.
What are the key properties of 4-methyl-N-(5-methyl-4-oxo-2-phenylpyrazol-3-ylidene)benzenesulfonamide?
4-methyl-N-(5-methyl-4-oxo-2-phenylpyrazol-3-ylidene)benzenesulfonamide has a molecular weight of 341.39 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(5-methyl-4-oxo-2-phenylpyrazol-3-ylidene)benzenesulfonamide is sourced from PubChem (CID 70423870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).