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

C22H18FNO2S — CID 71489500

IUPAC(NZ)-N-[(E)-3-(4-fluorophenyl)-1-phenylprop-2-enylidene]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=C(/C=C/c2ccc(F)cc2)c2ccccc2)cc1
InChIInChI=1S/C22H18FNO2S/c1-17-7-14-21(15-8-17)27(25,26)24-22(19-5-3-2-4-6-19)16-11-18-9-12-20(23)13-10-18/h2-16H,1H3/b16-11+,24-22-
InChIKeySXDPSNMFZTXFNG-QBWJDVBQSA-N
MW379.46 g/mol
LogP5.03
Rot. Bonds5

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

(NZ)-N-[(E)-3-(4-fluorophenyl)-1-phenylprop-2-enylidene]-4-methylbenzenesulfonamide (PubChem CID 71489500) has the molecular formula C22H18FNO2S and a molecular weight of 379.46 g/mol. Its IUPAC name is (NZ)-N-[(E)-3-(4-fluorophenyl)-1-phenylprop-2-enylidene]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name(NZ)-N-[(E)-3-(4-fluorophenyl)-1-phenylprop-2-enylidene]-4-methylbenzenesulfonamide
PubChem CID71489500
Molecular FormulaC22H18FNO2S
Molecular Weight379.46 g/mol
Exact Mass379.10
IUPAC Name(NZ)-N-[(E)-3-(4-fluorophenyl)-1-phenylprop-2-enylidene]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=C(/C=C/c2ccc(F)cc2)c2ccccc2)cc1
InChIInChI=1S/C22H18FNO2S/c1-17-7-14-21(15-8-17)27(25,26)24-22(19-5-3-2-4-6-19)16-11-18-9-12-20(23)13-10-18/h2-16H,1H3/b16-11+,24-22-
InChIKeySXDPSNMFZTXFNG-QBWJDVBQSA-N
XLogP5.03
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.46
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3-Diphenylacetone p-tosylhydrazone
CID 88263
N'-(3-allylcyclohexylidene)-4-methylbenzenesulfonohydrazide
CID 6244004
{[3,4-dihydro-1(2H)-naphthalenylidenamino]oxy}(4-methylphenyl)dioxo-lambda~6~-sulfane
CID 9601286
1-Propiophenone tosylhydrazone
CID 280394
N'-(3,4-Dihydronaphthalen-1(2H)-ylidene)-4-methylbenzene-1-sulfonohydrazide
CID 280414
4-tert-butyl-N'-[(1E)-1-phenylethylidene]benzenesulfonohydrazide
CID 9639996
N-[4-(benzenesulfonylimino)naphthalen-1-ylidene]benzenesulfonamide
CID 300375
N'-(Diphenylmethylene)-4-methylbenzenesulfonohydrazide
CID 274531
Mls003115187
CID 315047
N-(4-Fluorobenzylidene)-4-methylbenzenesulfonamide
CID 9581544
N'-(10,11-Dihydro-5H-dibenzo(A,D)cyclohepten-5-ylidene)-4-methylbenzenesulfonohydrazide
CID 2748825
AK-968/41924838
CID 5412472

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(E)-3-(4-fluorophenyl)-1-phenylprop-2-enylidene]-4-methylbenzenesulfonamide?
The IUPAC name of (NZ)-N-[(E)-3-(4-fluorophenyl)-1-phenylprop-2-enylidene]-4-methylbenzenesulfonamide (CID 71489500) is (NZ)-N-[(E)-3-(4-fluorophenyl)-1-phenylprop-2-enylidene]-4-methylbenzenesulfonamide.
What is the SMILES notation for (NZ)-N-[(E)-3-(4-fluorophenyl)-1-phenylprop-2-enylidene]-4-methylbenzenesulfonamide?
The canonical SMILES for (NZ)-N-[(E)-3-(4-fluorophenyl)-1-phenylprop-2-enylidene]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)/N=C(/C=C/c2ccc(F)cc2)c2ccccc2)cc1.
What is the InChIKey of (NZ)-N-[(E)-3-(4-fluorophenyl)-1-phenylprop-2-enylidene]-4-methylbenzenesulfonamide?
The InChIKey is SXDPSNMFZTXFNG-QBWJDVBQSA-N. The full InChI is InChI=1S/C22H18FNO2S/c1-17-7-14-21(15-8-17)27(25,26)24-22(19-5-3-2-4-6-19)16-11-18-9-12-20(23)13-10-18/h2-16H,1H3/b16-11+,24-22-.
What are the key properties of (NZ)-N-[(E)-3-(4-fluorophenyl)-1-phenylprop-2-enylidene]-4-methylbenzenesulfonamide?
(NZ)-N-[(E)-3-(4-fluorophenyl)-1-phenylprop-2-enylidene]-4-methylbenzenesulfonamide has a molecular weight of 379.46 g/mol, XLogP of 5.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(E)-3-(4-fluorophenyl)-1-phenylprop-2-enylidene]-4-methylbenzenesulfonamide is sourced from PubChem (CID 71489500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).