N-[(1E,4E)-1,5-bis(4-fluorophenyl)penta-1,4-dien-3-ylidene]methanesulfonamide

C18H15F2NO2S — CID 154719663

IUPACN-[(1E,4E)-1,5-bis(4-fluorophenyl)penta-1,4-dien-3-ylidene]methanesulfonamide
SMILESCS(=O)(=O)N=C(/C=C/c1ccc(F)cc1)/C=C/c1ccc(F)cc1
InChIInChI=1S/C18H15F2NO2S/c1-24(22,23)21-18(12-6-14-2-8-16(19)9-3-14)13-7-15-4-10-17(20)11-5-15/h2-13H,1H3/b12-6+,13-7+
InChIKeyVLRSBRHJBMKCQC-PWHKKFIBSA-N
MW347.39 g/mol
LogP4.09
Rot. Bonds5

About N-[(1E,4E)-1,5-bis(4-fluorophenyl)penta-1,4-dien-3-ylidene]methanesulfonamide

N-[(1E,4E)-1,5-bis(4-fluorophenyl)penta-1,4-dien-3-ylidene]methanesulfonamide (PubChem CID 154719663) has the molecular formula C18H15F2NO2S and a molecular weight of 347.39 g/mol. Its IUPAC name is N-[(1E,4E)-1,5-bis(4-fluorophenyl)penta-1,4-dien-3-ylidene]methanesulfonamide.

Molecular Properties

Compound NameN-[(1E,4E)-1,5-bis(4-fluorophenyl)penta-1,4-dien-3-ylidene]methanesulfonamide
PubChem CID154719663
Molecular FormulaC18H15F2NO2S
Molecular Weight347.39 g/mol
Exact Mass347.08
IUPAC NameN-[(1E,4E)-1,5-bis(4-fluorophenyl)penta-1,4-dien-3-ylidene]methanesulfonamide
SMILESCS(=O)(=O)N=C(/C=C/c1ccc(F)cc1)/C=C/c1ccc(F)cc1
InChIInChI=1S/C18H15F2NO2S/c1-24(22,23)21-18(12-6-14-2-8-16(19)9-3-14)13-7-15-4-10-17(20)11-5-15/h2-13H,1H3/b12-6+,13-7+
InChIKeyVLRSBRHJBMKCQC-PWHKKFIBSA-N
XLogP4.09
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 54.09
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

N-(diphenylmethylene)methanesulfonamide
CID 13140019
[Bis[4-(trifluoromethyl)phenyl]methylideneamino] methanesulfonate
CID 10960591
3-(4-Fluorophenyl)-4,5-dihydro-1,2-thiazole 1,1-dioxide
CID 44222549
N-[bis(3-fluorophenyl)methylideneamino]methanesulfonamide
CID 132577343
N-[(1E,4E)-1,5-bis[4-(trifluoromethyl)phenyl]penta-1,4-dien-3-ylidene]methanesulfonamide
CID 154719682
(NZ)-N-[(E)-1-(4-fluorophenyl)-3-phenylbut-2-enylidene]methanesulfonamide
CID 176435060
N'-[1-(4-fluorophenyl)ethylidene]methanesulfonohydrazide
CID 5333736
3-Tert-butyl-5-(4-fluorophenyl)-1,2-thiazole 1,1-dioxide
CID 21048552
3-Methyl-5-[3-(trifluoromethyl)phenyl]-1,2-thiazole 1,1-dioxide
CID 70333860
[(Z)-[1-(4-benzylphenyl)-2,2,2-trifluoroethylidene]amino] methanesulfonate
CID 87124065
[[1-(4-Benzylphenyl)-2,2,2-trifluoroethylidene]amino] methanesulfonate
CID 87124066
(NE,S)-N-[1-(2,6-difluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
CID 89094867

Frequently Asked Questions

What is the IUPAC name of N-[(1E,4E)-1,5-bis(4-fluorophenyl)penta-1,4-dien-3-ylidene]methanesulfonamide?
The IUPAC name of N-[(1E,4E)-1,5-bis(4-fluorophenyl)penta-1,4-dien-3-ylidene]methanesulfonamide (CID 154719663) is N-[(1E,4E)-1,5-bis(4-fluorophenyl)penta-1,4-dien-3-ylidene]methanesulfonamide.
What is the SMILES notation for N-[(1E,4E)-1,5-bis(4-fluorophenyl)penta-1,4-dien-3-ylidene]methanesulfonamide?
The canonical SMILES for N-[(1E,4E)-1,5-bis(4-fluorophenyl)penta-1,4-dien-3-ylidene]methanesulfonamide is CS(=O)(=O)N=C(/C=C/c1ccc(F)cc1)/C=C/c1ccc(F)cc1.
What is the InChIKey of N-[(1E,4E)-1,5-bis(4-fluorophenyl)penta-1,4-dien-3-ylidene]methanesulfonamide?
The InChIKey is VLRSBRHJBMKCQC-PWHKKFIBSA-N. The full InChI is InChI=1S/C18H15F2NO2S/c1-24(22,23)21-18(12-6-14-2-8-16(19)9-3-14)13-7-15-4-10-17(20)11-5-15/h2-13H,1H3/b12-6+,13-7+.
What are the key properties of N-[(1E,4E)-1,5-bis(4-fluorophenyl)penta-1,4-dien-3-ylidene]methanesulfonamide?
N-[(1E,4E)-1,5-bis(4-fluorophenyl)penta-1,4-dien-3-ylidene]methanesulfonamide has a molecular weight of 347.39 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,4E)-1,5-bis(4-fluorophenyl)penta-1,4-dien-3-ylidene]methanesulfonamide is sourced from PubChem (CID 154719663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).