5-[2-(4-methylphenyl)sulfonylhydrazinyl]-5-phenylpent-4-enoic acid

C18H20N2O4S — CID 91387380

IUPAC5-[2-(4-methylphenyl)sulfonylhydrazinyl]-5-phenylpent-4-enoic acid
SMILESCc1ccc(S(=O)(=O)NNC(=CCCC(=O)O)c2ccccc2)cc1
InChIInChI=1S/C18H20N2O4S/c1-14-10-12-16(13-11-14)25(23,24)20-19-17(8-5-9-18(21)22)15-6-3-2-4-7-15/h2-4,6-8,10-13,19-20H,5,9H2,1H3,(H,21,22)
InChIKeyUXCOCJFHQJULPZ-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.68
Rot. Bonds8

About 5-[2-(4-methylphenyl)sulfonylhydrazinyl]-5-phenylpent-4-enoic acid

5-[2-(4-methylphenyl)sulfonylhydrazinyl]-5-phenylpent-4-enoic acid (PubChem CID 91387380) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is 5-[2-(4-methylphenyl)sulfonylhydrazinyl]-5-phenylpent-4-enoic acid.

Molecular Properties

Compound Name5-[2-(4-methylphenyl)sulfonylhydrazinyl]-5-phenylpent-4-enoic acid
PubChem CID91387380
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name5-[2-(4-methylphenyl)sulfonylhydrazinyl]-5-phenylpent-4-enoic acid
SMILESCc1ccc(S(=O)(=O)NNC(=CCCC(=O)O)c2ccccc2)cc1
InChIInChI=1S/C18H20N2O4S/c1-14-10-12-16(13-11-14)25(23,24)20-19-17(8-5-9-18(21)22)15-6-3-2-4-7-15/h2-4,6-8,10-13,19-20H,5,9H2,1H3,(H,21,22)
InChIKeyUXCOCJFHQJULPZ-UHFFFAOYSA-N
XLogP2.68
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-[2-(4-methylphenyl)sulfonylhydrazinyl]-5-phenylpent-4-enoic acid 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 5-[2-(4-methylphenyl)sulfonylhydrazinyl]-5-phenylpent-4-enoic acid?
The IUPAC name of 5-[2-(4-methylphenyl)sulfonylhydrazinyl]-5-phenylpent-4-enoic acid (CID 91387380) is 5-[2-(4-methylphenyl)sulfonylhydrazinyl]-5-phenylpent-4-enoic acid.
What is the SMILES notation for 5-[2-(4-methylphenyl)sulfonylhydrazinyl]-5-phenylpent-4-enoic acid?
The canonical SMILES for 5-[2-(4-methylphenyl)sulfonylhydrazinyl]-5-phenylpent-4-enoic acid is Cc1ccc(S(=O)(=O)NNC(=CCCC(=O)O)c2ccccc2)cc1.
What is the InChIKey of 5-[2-(4-methylphenyl)sulfonylhydrazinyl]-5-phenylpent-4-enoic acid?
The InChIKey is UXCOCJFHQJULPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-14-10-12-16(13-11-14)25(23,24)20-19-17(8-5-9-18(21)22)15-6-3-2-4-7-15/h2-4,6-8,10-13,19-20H,5,9H2,1H3,(H,21,22).
What are the key properties of 5-[2-(4-methylphenyl)sulfonylhydrazinyl]-5-phenylpent-4-enoic acid?
5-[2-(4-methylphenyl)sulfonylhydrazinyl]-5-phenylpent-4-enoic acid has a molecular weight of 360.44 g/mol, XLogP of 2.68, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-methylphenyl)sulfonylhydrazinyl]-5-phenylpent-4-enoic acid is sourced from PubChem (CID 91387380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).