4-methyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]-2-trimethylsilylbuta-2,3-dienyl]benzenesulfonamide

C21H24F3NO2SSi — CID 164685083

IUPAC4-methyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]-2-trimethylsilylbuta-2,3-dienyl]benzenesulfonamide
SMILESC=C=C([C@H](NS(=O)(=O)c1ccc(C)cc1)c1ccc(C(F)(F)F)cc1)[Si](C)(C)C
InChIInChI=1S/C21H24F3NO2SSi/c1-6-19(29(3,4)5)20(16-9-11-17(12-10-16)21(22,23)24)25-28(26,27)18-13-7-15(2)8-14-18/h7-14,20,25H,1H2,2-5H3/t20-/m1/s1
InChIKeyGRICNFWOPBVUCL-HXUWFJFHSA-N
MW439.58 g/mol
LogP5.62
Rot. Bonds6

About 4-methyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]-2-trimethylsilylbuta-2,3-dienyl]benzenesulfonamide

4-methyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]-2-trimethylsilylbuta-2,3-dienyl]benzenesulfonamide (PubChem CID 164685083) has the molecular formula C21H24F3NO2SSi and a molecular weight of 439.58 g/mol. Its IUPAC name is 4-methyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]-2-trimethylsilylbuta-2,3-dienyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]-2-trimethylsilylbuta-2,3-dienyl]benzenesulfonamide
PubChem CID164685083
Molecular FormulaC21H24F3NO2SSi
Molecular Weight439.58 g/mol
Exact Mass439.12
IUPAC Name4-methyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]-2-trimethylsilylbuta-2,3-dienyl]benzenesulfonamide
SMILESC=C=C([C@H](NS(=O)(=O)c1ccc(C)cc1)c1ccc(C(F)(F)F)cc1)[Si](C)(C)C
InChIInChI=1S/C21H24F3NO2SSi/c1-6-19(29(3,4)5)20(16-9-11-17(12-10-16)21(22,23)24)25-28(26,27)18-13-7-15(2)8-14-18/h7-14,20,25H,1H2,2-5H3/t20-/m1/s1
InChIKeyGRICNFWOPBVUCL-HXUWFJFHSA-N
XLogP5.62
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.58
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[(R)-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 154713229
N-[(1R)-1-(1-benzofuran-2-yl)-2-trimethylsilylbuta-2,3-dienyl]-4-methylbenzenesulfonamide
CID 164686074
4-methyl-N-[(2S)-3-methyl-1-oxo-1-phenyl-3-[4-(trifluoromethyl)phenyl]butan-2-yl]benzenesulfonamide
CID 132583322
1-methyl-4-[4-(trifluoromethyl)phenyl]sulfonylbenzene
CID 25017943
N-[1-(4-chlorophenyl)-2-methoxyprop-2-enyl]-4-methylbenzenesulfonamide
CID 11302594
4-methyl-N-(2,3,3-trifluoro-1-phenylprop-2-enyl)benzenesulfonamide
CID 102415816
N-(2,2-difluoro-4-methyl-1-oxo-1-trimethylsilylpentan-3-yl)-4-methylbenzenesulfonamide
CID 11494595
N-[(1R)-1-(4-fluorophenyl)-2-methylidene-3-oxopentyl]-4-methylbenzenesulfonamide
CID 134926200
N-[(1R)-1-(4-phenylphenyl)-2-propylhex-2-enyl]-4-(trifluoromethyl)benzenesulfonamide
CID 6636148
3-methyl-2-[[4-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid
CID 43091494
4-methyl-N-[4,4,4-trifluoro-1-hydroxy-3-(trifluoromethyl)butan-2-yl]benzenesulfonamide
CID 24765550
4-methyl-N-[(S)-phenyl-[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 134952770

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]-2-trimethylsilylbuta-2,3-dienyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]-2-trimethylsilylbuta-2,3-dienyl]benzenesulfonamide (CID 164685083) is 4-methyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]-2-trimethylsilylbuta-2,3-dienyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]-2-trimethylsilylbuta-2,3-dienyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]-2-trimethylsilylbuta-2,3-dienyl]benzenesulfonamide is C=C=C([C@H](NS(=O)(=O)c1ccc(C)cc1)c1ccc(C(F)(F)F)cc1)[Si](C)(C)C.
What is the InChIKey of 4-methyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]-2-trimethylsilylbuta-2,3-dienyl]benzenesulfonamide?
The InChIKey is GRICNFWOPBVUCL-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H24F3NO2SSi/c1-6-19(29(3,4)5)20(16-9-11-17(12-10-16)21(22,23)24)25-28(26,27)18-13-7-15(2)8-14-18/h7-14,20,25H,1H2,2-5H3/t20-/m1/s1.
What are the key properties of 4-methyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]-2-trimethylsilylbuta-2,3-dienyl]benzenesulfonamide?
4-methyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]-2-trimethylsilylbuta-2,3-dienyl]benzenesulfonamide has a molecular weight of 439.58 g/mol, XLogP of 5.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]-2-trimethylsilylbuta-2,3-dienyl]benzenesulfonamide is sourced from PubChem (CID 164685083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).