(NZ)-N-[(4-fluorophenyl)-[methyl(diphenyl)silyl]methylidene]-4-methylbenzenesulfonamide

C27H24FNO2SSi — CID 164665321

IUPAC(NZ)-N-[(4-fluorophenyl)-[methyl(diphenyl)silyl]methylidene]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=C(/c2ccc(F)cc2)[Si](C)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H24FNO2SSi/c1-21-13-19-24(20-14-21)32(30,31)29-27(22-15-17-23(28)18-16-22)33(2,25-9-5-3-6-10-25)26-11-7-4-8-12-26/h3-20H,1-2H3/b29-27-
InChIKeyWWSMGRUHHYZKNW-OHYPFYFLSA-N
MW473.65 g/mol
LogP4.74
Rot. Bonds6

About (NZ)-N-[(4-fluorophenyl)-[methyl(diphenyl)silyl]methylidene]-4-methylbenzenesulfonamide

(NZ)-N-[(4-fluorophenyl)-[methyl(diphenyl)silyl]methylidene]-4-methylbenzenesulfonamide (PubChem CID 164665321) has the molecular formula C27H24FNO2SSi and a molecular weight of 473.65 g/mol. Its IUPAC name is (NZ)-N-[(4-fluorophenyl)-[methyl(diphenyl)silyl]methylidene]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name(NZ)-N-[(4-fluorophenyl)-[methyl(diphenyl)silyl]methylidene]-4-methylbenzenesulfonamide
PubChem CID164665321
Molecular FormulaC27H24FNO2SSi
Molecular Weight473.65 g/mol
Exact Mass473.13
IUPAC Name(NZ)-N-[(4-fluorophenyl)-[methyl(diphenyl)silyl]methylidene]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=C(/c2ccc(F)cc2)[Si](C)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H24FNO2SSi/c1-21-13-19-24(20-14-21)32(30,31)29-27(22-15-17-23(28)18-16-22)33(2,25-9-5-3-6-10-25)26-11-7-4-8-12-26/h3-20H,1-2H3/b29-27-
InChIKeyWWSMGRUHHYZKNW-OHYPFYFLSA-N
XLogP4.74
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.65
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1E)-N-(benzenesulfonyl)-4-fluorobenzenecarboximidoyl chloride
CID 18871869
N'-(4-methylphenyl)sulfonyl-4-phenylbenzenecarboximidamide
CID 171485898
(NE)-N-[(E)-1-(4-fluorophenyl)-3-(4-iodophenyl)prop-2-enylidene]-4-methylbenzenesulfonamide
CID 154594138
N'-(4-methylphenyl)sulfonyl-N-[4-[(E)-N-(4-methylphenyl)sulfonyl-C-phenylcarbonimidoyl]iminocyclohexa-2,5-dien-1-ylidene]benzenecarboximidamide
CID 75408906
[(E)-N-(benzenesulfonyl)-C-(4-methylphenyl)carbonimidoyl] 4-methylbenzoate
CID 6125087
(NE)-4-methyl-N-[phenyl-[4-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide
CID 134997728
methyl (E)-N-(4-methylphenyl)sulfonylbenzenecarboximidothioate
CID 5408818
N'-(benzenesulfonyl)-N-methyl-N-(4-methylphenyl)sulfonylbenzenecarboximidamide
CID 2873223
N-(2-chloro-1-phenylethylidene)-4-methylbenzenesulfonamide
CID 178184329
N'-(4-fluorophenyl)sulfonyl-N-(2-methylphenyl)benzenecarboximidamide
CID 6195854
4-methyl-N'-[N-(4-methylphenyl)sulfonyl-C-phenylcarbonimidoyl]benzenecarboximidamide
CID 2303263
(NZ)-N-[[tert-butyl(dimethyl)silyl]-phenylmethylidene]benzenesulfonamide
CID 164665268

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(4-fluorophenyl)-[methyl(diphenyl)silyl]methylidene]-4-methylbenzenesulfonamide?
The IUPAC name of (NZ)-N-[(4-fluorophenyl)-[methyl(diphenyl)silyl]methylidene]-4-methylbenzenesulfonamide (CID 164665321) is (NZ)-N-[(4-fluorophenyl)-[methyl(diphenyl)silyl]methylidene]-4-methylbenzenesulfonamide.
What is the SMILES notation for (NZ)-N-[(4-fluorophenyl)-[methyl(diphenyl)silyl]methylidene]-4-methylbenzenesulfonamide?
The canonical SMILES for (NZ)-N-[(4-fluorophenyl)-[methyl(diphenyl)silyl]methylidene]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)/N=C(/c2ccc(F)cc2)[Si](C)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (NZ)-N-[(4-fluorophenyl)-[methyl(diphenyl)silyl]methylidene]-4-methylbenzenesulfonamide?
The InChIKey is WWSMGRUHHYZKNW-OHYPFYFLSA-N. The full InChI is InChI=1S/C27H24FNO2SSi/c1-21-13-19-24(20-14-21)32(30,31)29-27(22-15-17-23(28)18-16-22)33(2,25-9-5-3-6-10-25)26-11-7-4-8-12-26/h3-20H,1-2H3/b29-27-.
What are the key properties of (NZ)-N-[(4-fluorophenyl)-[methyl(diphenyl)silyl]methylidene]-4-methylbenzenesulfonamide?
(NZ)-N-[(4-fluorophenyl)-[methyl(diphenyl)silyl]methylidene]-4-methylbenzenesulfonamide has a molecular weight of 473.65 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(4-fluorophenyl)-[methyl(diphenyl)silyl]methylidene]-4-methylbenzenesulfonamide is sourced from PubChem (CID 164665321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).