4-methyl-N-[oxo-phenyl-(2-phenyl-1-trimethylsilylhexyl)-λ6-sulfanylidene]benzenesulfonamide

C28H37NO3S2Si — CID 10697470

IUPAC4-methyl-N-[oxo-phenyl-(2-phenyl-1-trimethylsilylhexyl)-λ6-sulfanylidene]benzenesulfonamide
SMILESCCCCC(c1ccccc1)C([Si](C)(C)C)S(=O)(=NS(=O)(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C28H37NO3S2Si/c1-6-7-18-27(24-14-10-8-11-15-24)28(35(3,4)5)33(30,25-16-12-9-13-17-25)29-34(31,32)26-21-19-23(2)20-22-26/h8-17,19-22,27-28H,6-7,18H2,1-5H3
InChIKeyKADWYLXCBVXMHQ-UHFFFAOYSA-N
MW527.83 g/mol
LogP7.43
Rot. Bonds10

About 4-methyl-N-[oxo-phenyl-(2-phenyl-1-trimethylsilylhexyl)-λ6-sulfanylidene]benzenesulfonamide

4-methyl-N-[oxo-phenyl-(2-phenyl-1-trimethylsilylhexyl)-λ6-sulfanylidene]benzenesulfonamide (PubChem CID 10697470) has the molecular formula C28H37NO3S2Si and a molecular weight of 527.83 g/mol. Its IUPAC name is 4-methyl-N-[oxo-phenyl-(2-phenyl-1-trimethylsilylhexyl)-λ6-sulfanylidene]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[oxo-phenyl-(2-phenyl-1-trimethylsilylhexyl)-λ6-sulfanylidene]benzenesulfonamide
PubChem CID10697470
Molecular FormulaC28H37NO3S2Si
Molecular Weight527.83 g/mol
Exact Mass527.20
IUPAC Name4-methyl-N-[oxo-phenyl-(2-phenyl-1-trimethylsilylhexyl)-λ6-sulfanylidene]benzenesulfonamide
SMILESCCCCC(c1ccccc1)C([Si](C)(C)C)S(=O)(=NS(=O)(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C28H37NO3S2Si/c1-6-7-18-27(24-14-10-8-11-15-24)28(35(3,4)5)33(30,25-16-12-9-13-17-25)29-34(31,32)26-21-19-23(2)20-22-26/h8-17,19-22,27-28H,6-7,18H2,1-5H3
InChIKeyKADWYLXCBVXMHQ-UHFFFAOYSA-N
XLogP7.43
TPSA63.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.83
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[oxo-phenyl-(2-phenyl-1-trimethylsilylpropyl)-λ6-sulfanylidene]benzenesulfonamide
CID 11799117
4-methyl-N-(2-methylhexyl-oxo-phenyl-lambda6-sulfanylidene)benzenesulfonamide
CID 10668295
N-[[(R)-fluoro(phenyl)methyl]-oxo-phenyl-λ6-sulfanylidene]-4-methylbenzenesulfonamide
CID 86328639
N-[[(S)-fluoro-(4-methylphenyl)methyl]-oxo-phenyl-λ6-sulfanylidene]-4-methylbenzenesulfonamide
CID 86337609
N-(2-cyclohexylhexyl-oxo-phenyl-lambda6-sulfanylidene)-4-methylbenzenesulfonamide
CID 10766445
N-[[(R)-fluoro-(4-fluorophenyl)methyl]-oxo-phenyl-λ6-sulfanylidene]-4-methylbenzenesulfonamide
CID 86337606
N-[[(R)-(4-bromophenyl)-fluoromethyl]-oxo-phenyl-λ6-sulfanylidene]-4-methylbenzenesulfonamide
CID 86337603
4-methyl-N-[oxo(diphenyl)-λ6-sulfanylidene]benzenesulfonamide
CID 12506494
N-[[(2R,3S)-3-heptyloxiran-2-yl]-oxo-phenyl-λ6-sulfanylidene]-4-methylbenzenesulfonamide
CID 10455650
4-methyl-N-[[(2R,3R)-3-octyloxiran-2-yl]-oxo-phenyl-λ6-sulfanylidene]benzenesulfonamide
CID 10789691
N-[[(2R)-2-hydroxy-3-methylbutyl]-oxo-phenyl-λ6-sulfanylidene]-4-methylbenzenesulfonamide
CID 10474967
N,4-dimethyl-N-(2-methyl-1-phenyloctyl)benzenesulfonamide
CID 102421341

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[oxo-phenyl-(2-phenyl-1-trimethylsilylhexyl)-λ6-sulfanylidene]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[oxo-phenyl-(2-phenyl-1-trimethylsilylhexyl)-λ6-sulfanylidene]benzenesulfonamide (CID 10697470) is 4-methyl-N-[oxo-phenyl-(2-phenyl-1-trimethylsilylhexyl)-λ6-sulfanylidene]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[oxo-phenyl-(2-phenyl-1-trimethylsilylhexyl)-λ6-sulfanylidene]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[oxo-phenyl-(2-phenyl-1-trimethylsilylhexyl)-λ6-sulfanylidene]benzenesulfonamide is CCCCC(c1ccccc1)C([Si](C)(C)C)S(=O)(=NS(=O)(=O)c1ccc(C)cc1)c1ccccc1.
What is the InChIKey of 4-methyl-N-[oxo-phenyl-(2-phenyl-1-trimethylsilylhexyl)-λ6-sulfanylidene]benzenesulfonamide?
The InChIKey is KADWYLXCBVXMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37NO3S2Si/c1-6-7-18-27(24-14-10-8-11-15-24)28(35(3,4)5)33(30,25-16-12-9-13-17-25)29-34(31,32)26-21-19-23(2)20-22-26/h8-17,19-22,27-28H,6-7,18H2,1-5H3.
What are the key properties of 4-methyl-N-[oxo-phenyl-(2-phenyl-1-trimethylsilylhexyl)-λ6-sulfanylidene]benzenesulfonamide?
4-methyl-N-[oxo-phenyl-(2-phenyl-1-trimethylsilylhexyl)-λ6-sulfanylidene]benzenesulfonamide has a molecular weight of 527.83 g/mol, XLogP of 7.43, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[oxo-phenyl-(2-phenyl-1-trimethylsilylhexyl)-λ6-sulfanylidene]benzenesulfonamide is sourced from PubChem (CID 10697470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).