N'-[1-(4-fluorophenyl)prop-1-enyl]-4-methylbenzenesulfonohydrazide

C16H17FN2O2S — CID 91093377

IUPACN'-[1-(4-fluorophenyl)prop-1-enyl]-4-methylbenzenesulfonohydrazide
SMILESCC=C(NNS(=O)(=O)c1ccc(C)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H17FN2O2S/c1-3-16(13-6-8-14(17)9-7-13)18-19-22(20,21)15-10-4-12(2)5-11-15/h3-11,18-19H,1-2H3
InChIKeyMRFPEGYOUMCDLU-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.98
Rot. Bonds5

About N'-[1-(4-fluorophenyl)prop-1-enyl]-4-methylbenzenesulfonohydrazide

N'-[1-(4-fluorophenyl)prop-1-enyl]-4-methylbenzenesulfonohydrazide (PubChem CID 91093377) has the molecular formula C16H17FN2O2S and a molecular weight of 320.39 g/mol. Its IUPAC name is N'-[1-(4-fluorophenyl)prop-1-enyl]-4-methylbenzenesulfonohydrazide.

Molecular Properties

Compound NameN'-[1-(4-fluorophenyl)prop-1-enyl]-4-methylbenzenesulfonohydrazide
PubChem CID91093377
Molecular FormulaC16H17FN2O2S
Molecular Weight320.39 g/mol
Exact Mass320.10
IUPAC NameN'-[1-(4-fluorophenyl)prop-1-enyl]-4-methylbenzenesulfonohydrazide
SMILESCC=C(NNS(=O)(=O)c1ccc(C)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H17FN2O2S/c1-3-16(13-6-8-14(17)9-7-13)18-19-22(20,21)15-10-4-12(2)5-11-15/h3-11,18-19H,1-2H3
InChIKeyMRFPEGYOUMCDLU-UHFFFAOYSA-N
XLogP2.98
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[1-(4-fluorophenyl)prop-1-enyl]-4-methylbenzenesulfonohydrazide?
The IUPAC name of N'-[1-(4-fluorophenyl)prop-1-enyl]-4-methylbenzenesulfonohydrazide (CID 91093377) is N'-[1-(4-fluorophenyl)prop-1-enyl]-4-methylbenzenesulfonohydrazide.
What is the SMILES notation for N'-[1-(4-fluorophenyl)prop-1-enyl]-4-methylbenzenesulfonohydrazide?
The canonical SMILES for N'-[1-(4-fluorophenyl)prop-1-enyl]-4-methylbenzenesulfonohydrazide is CC=C(NNS(=O)(=O)c1ccc(C)cc1)c1ccc(F)cc1.
What is the InChIKey of N'-[1-(4-fluorophenyl)prop-1-enyl]-4-methylbenzenesulfonohydrazide?
The InChIKey is MRFPEGYOUMCDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2S/c1-3-16(13-6-8-14(17)9-7-13)18-19-22(20,21)15-10-4-12(2)5-11-15/h3-11,18-19H,1-2H3.
What are the key properties of N'-[1-(4-fluorophenyl)prop-1-enyl]-4-methylbenzenesulfonohydrazide?
N'-[1-(4-fluorophenyl)prop-1-enyl]-4-methylbenzenesulfonohydrazide has a molecular weight of 320.39 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(4-fluorophenyl)prop-1-enyl]-4-methylbenzenesulfonohydrazide is sourced from PubChem (CID 91093377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).