(E)-3-(3-fluorophenyl)-N'-(4-methylphenyl)sulfonylprop-2-enehydrazide

C16H15FN2O3S — CID 2420757

IUPAC(E)-3-(3-fluorophenyl)-N'-(4-methylphenyl)sulfonylprop-2-enehydrazide
SMILESCc1ccc(S(=O)(=O)NNC(=O)/C=C/c2cccc(F)c2)cc1
InChIInChI=1S/C16H15FN2O3S/c1-12-5-8-15(9-6-12)23(21,22)19-18-16(20)10-7-13-3-2-4-14(17)11-13/h2-11,19H,1H3,(H,18,20)/b10-7+
InChIKeyAXWBJFHBSATINQ-JXMROGBWSA-N
MW334.37 g/mol
LogP2.16
Rot. Bonds5

About (E)-3-(3-fluorophenyl)-N'-(4-methylphenyl)sulfonylprop-2-enehydrazide

(E)-3-(3-fluorophenyl)-N'-(4-methylphenyl)sulfonylprop-2-enehydrazide (PubChem CID 2420757) has the molecular formula C16H15FN2O3S and a molecular weight of 334.37 g/mol. Its IUPAC name is (E)-3-(3-fluorophenyl)-N'-(4-methylphenyl)sulfonylprop-2-enehydrazide.

Molecular Properties

Compound Name(E)-3-(3-fluorophenyl)-N'-(4-methylphenyl)sulfonylprop-2-enehydrazide
PubChem CID2420757
Molecular FormulaC16H15FN2O3S
Molecular Weight334.37 g/mol
Exact Mass334.08
IUPAC Name(E)-3-(3-fluorophenyl)-N'-(4-methylphenyl)sulfonylprop-2-enehydrazide
SMILESCc1ccc(S(=O)(=O)NNC(=O)/C=C/c2cccc(F)c2)cc1
InChIInChI=1S/C16H15FN2O3S/c1-12-5-8-15(9-6-12)23(21,22)19-18-16(20)10-7-13-3-2-4-14(17)11-13/h2-11,19H,1H3,(H,18,20)/b10-7+
InChIKeyAXWBJFHBSATINQ-JXMROGBWSA-N
XLogP2.16
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_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 (E)-3-(3-fluorophenyl)-N'-(4-methylphenyl)sulfonylprop-2-enehydrazide?
The IUPAC name of (E)-3-(3-fluorophenyl)-N'-(4-methylphenyl)sulfonylprop-2-enehydrazide (CID 2420757) is (E)-3-(3-fluorophenyl)-N'-(4-methylphenyl)sulfonylprop-2-enehydrazide.
What is the SMILES notation for (E)-3-(3-fluorophenyl)-N'-(4-methylphenyl)sulfonylprop-2-enehydrazide?
The canonical SMILES for (E)-3-(3-fluorophenyl)-N'-(4-methylphenyl)sulfonylprop-2-enehydrazide is Cc1ccc(S(=O)(=O)NNC(=O)/C=C/c2cccc(F)c2)cc1.
What is the InChIKey of (E)-3-(3-fluorophenyl)-N'-(4-methylphenyl)sulfonylprop-2-enehydrazide?
The InChIKey is AXWBJFHBSATINQ-JXMROGBWSA-N. The full InChI is InChI=1S/C16H15FN2O3S/c1-12-5-8-15(9-6-12)23(21,22)19-18-16(20)10-7-13-3-2-4-14(17)11-13/h2-11,19H,1H3,(H,18,20)/b10-7+.
What are the key properties of (E)-3-(3-fluorophenyl)-N'-(4-methylphenyl)sulfonylprop-2-enehydrazide?
(E)-3-(3-fluorophenyl)-N'-(4-methylphenyl)sulfonylprop-2-enehydrazide has a molecular weight of 334.37 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-fluorophenyl)-N'-(4-methylphenyl)sulfonylprop-2-enehydrazide is sourced from PubChem (CID 2420757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).