(2Z)-4-(4-fluorophenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]butanoic acid

C17H17FN2O4S — CID 155250918

IUPAC(2Z)-4-(4-fluorophenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]butanoic acid
SMILESCc1ccc(S(=O)(=O)N/N=C(/CCc2ccc(F)cc2)C(=O)O)cc1
InChIInChI=1S/C17H17FN2O4S/c1-12-2-9-15(10-3-12)25(23,24)20-19-16(17(21)22)11-6-13-4-7-14(18)8-5-13/h2-5,7-10,20H,6,11H2,1H3,(H,21,22)/b19-16-
InChIKeyFWXLKCROSPVWHD-MNDPQUGUSA-N
MW364.40 g/mol
LogP2.49
Rot. Bonds7

About (2Z)-4-(4-fluorophenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]butanoic acid

(2Z)-4-(4-fluorophenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]butanoic acid (PubChem CID 155250918) has the molecular formula C17H17FN2O4S and a molecular weight of 364.40 g/mol. Its IUPAC name is (2Z)-4-(4-fluorophenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]butanoic acid.

Molecular Properties

Compound Name(2Z)-4-(4-fluorophenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]butanoic acid
PubChem CID155250918
Molecular FormulaC17H17FN2O4S
Molecular Weight364.40 g/mol
Exact Mass364.09
IUPAC Name(2Z)-4-(4-fluorophenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]butanoic acid
SMILESCc1ccc(S(=O)(=O)N/N=C(/CCc2ccc(F)cc2)C(=O)O)cc1
InChIInChI=1S/C17H17FN2O4S/c1-12-2-9-15(10-3-12)25(23,24)20-19-16(17(21)22)11-6-13-4-7-14(18)8-5-13/h2-5,7-10,20H,6,11H2,1H3,(H,21,22)/b19-16-
InChIKeyFWXLKCROSPVWHD-MNDPQUGUSA-N
XLogP2.49
TPSA95.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-4-(4-fluorophenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]butanoic acid?
The IUPAC name of (2Z)-4-(4-fluorophenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]butanoic acid (CID 155250918) is (2Z)-4-(4-fluorophenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]butanoic acid.
What is the SMILES notation for (2Z)-4-(4-fluorophenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]butanoic acid?
The canonical SMILES for (2Z)-4-(4-fluorophenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]butanoic acid is Cc1ccc(S(=O)(=O)N/N=C(/CCc2ccc(F)cc2)C(=O)O)cc1.
What is the InChIKey of (2Z)-4-(4-fluorophenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]butanoic acid?
The InChIKey is FWXLKCROSPVWHD-MNDPQUGUSA-N. The full InChI is InChI=1S/C17H17FN2O4S/c1-12-2-9-15(10-3-12)25(23,24)20-19-16(17(21)22)11-6-13-4-7-14(18)8-5-13/h2-5,7-10,20H,6,11H2,1H3,(H,21,22)/b19-16-.
What are the key properties of (2Z)-4-(4-fluorophenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]butanoic acid?
(2Z)-4-(4-fluorophenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]butanoic acid has a molecular weight of 364.40 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-4-(4-fluorophenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]butanoic acid is sourced from PubChem (CID 155250918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).