(NZ)-N-[(E)-3-(4-fluorophenyl)-1-(4-methoxyphenyl)prop-2-enylidene]-4-methylbenzenesulfonamide

C23H20FNO3S — CID 71739048

IUPAC(NZ)-N-[(E)-3-(4-fluorophenyl)-1-(4-methoxyphenyl)prop-2-enylidene]-4-methylbenzenesulfonamide
SMILESCOc1ccc(C(/C=C/c2ccc(F)cc2)=N\S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H20FNO3S/c1-17-3-14-22(15-4-17)29(26,27)25-23(19-8-12-21(28-2)13-9-19)16-7-18-5-10-20(24)11-6-18/h3-16H,1-2H3/b16-7+,25-23-
InChIKeyMJZKDWHVEKEQRC-VMOZHMHOSA-N
MW409.48 g/mol
LogP5.03
Rot. Bonds6

About (NZ)-N-[(E)-3-(4-fluorophenyl)-1-(4-methoxyphenyl)prop-2-enylidene]-4-methylbenzenesulfonamide

(NZ)-N-[(E)-3-(4-fluorophenyl)-1-(4-methoxyphenyl)prop-2-enylidene]-4-methylbenzenesulfonamide (PubChem CID 71739048) has the molecular formula C23H20FNO3S and a molecular weight of 409.48 g/mol. Its IUPAC name is (NZ)-N-[(E)-3-(4-fluorophenyl)-1-(4-methoxyphenyl)prop-2-enylidene]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name(NZ)-N-[(E)-3-(4-fluorophenyl)-1-(4-methoxyphenyl)prop-2-enylidene]-4-methylbenzenesulfonamide
PubChem CID71739048
Molecular FormulaC23H20FNO3S
Molecular Weight409.48 g/mol
Exact Mass409.11
IUPAC Name(NZ)-N-[(E)-3-(4-fluorophenyl)-1-(4-methoxyphenyl)prop-2-enylidene]-4-methylbenzenesulfonamide
SMILESCOc1ccc(C(/C=C/c2ccc(F)cc2)=N\S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H20FNO3S/c1-17-3-14-22(15-4-17)29(26,27)25-23(19-8-12-21(28-2)13-9-19)16-7-18-5-10-20(24)11-6-18/h3-16H,1-2H3/b16-7+,25-23-
InChIKeyMJZKDWHVEKEQRC-VMOZHMHOSA-N
XLogP5.03
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.48
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (NZ)-N-[(E)-3-(4-fluorophenyl)-1-(4-methoxyphenyl)prop-2-enylidene]-4-methylbenzenesulfonamide?
The IUPAC name of (NZ)-N-[(E)-3-(4-fluorophenyl)-1-(4-methoxyphenyl)prop-2-enylidene]-4-methylbenzenesulfonamide (CID 71739048) is (NZ)-N-[(E)-3-(4-fluorophenyl)-1-(4-methoxyphenyl)prop-2-enylidene]-4-methylbenzenesulfonamide.
What is the SMILES notation for (NZ)-N-[(E)-3-(4-fluorophenyl)-1-(4-methoxyphenyl)prop-2-enylidene]-4-methylbenzenesulfonamide?
The canonical SMILES for (NZ)-N-[(E)-3-(4-fluorophenyl)-1-(4-methoxyphenyl)prop-2-enylidene]-4-methylbenzenesulfonamide is COc1ccc(C(/C=C/c2ccc(F)cc2)=N\S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of (NZ)-N-[(E)-3-(4-fluorophenyl)-1-(4-methoxyphenyl)prop-2-enylidene]-4-methylbenzenesulfonamide?
The InChIKey is MJZKDWHVEKEQRC-VMOZHMHOSA-N. The full InChI is InChI=1S/C23H20FNO3S/c1-17-3-14-22(15-4-17)29(26,27)25-23(19-8-12-21(28-2)13-9-19)16-7-18-5-10-20(24)11-6-18/h3-16H,1-2H3/b16-7+,25-23-.
What are the key properties of (NZ)-N-[(E)-3-(4-fluorophenyl)-1-(4-methoxyphenyl)prop-2-enylidene]-4-methylbenzenesulfonamide?
(NZ)-N-[(E)-3-(4-fluorophenyl)-1-(4-methoxyphenyl)prop-2-enylidene]-4-methylbenzenesulfonamide has a molecular weight of 409.48 g/mol, XLogP of 5.03, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(E)-3-(4-fluorophenyl)-1-(4-methoxyphenyl)prop-2-enylidene]-4-methylbenzenesulfonamide is sourced from PubChem (CID 71739048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).