2-[N-[tert-butyl(dimethyl)silyl]-S-phenylsulfonimidoyl]-2-fluoro-1-phenylethanone

C20H26FNO2SSi — CID 102346704

IUPAC2-[N-[tert-butyl(dimethyl)silyl]-S-phenylsulfonimidoyl]-2-fluoro-1-phenylethanone
SMILESCC(C)(C)[Si](C)(C)N=S(=O)(c1ccccc1)C(F)C(=O)c1ccccc1
InChIInChI=1S/C20H26FNO2SSi/c1-20(2,3)26(4,5)22-25(24,17-14-10-7-11-15-17)19(21)18(23)16-12-8-6-9-13-16/h6-15,19H,1-5H3
InChIKeyCVRJDVVTBAWPGO-UHFFFAOYSA-N
MW391.58 g/mol
LogP5.70
Rot. Bonds5

About 2-[N-[tert-butyl(dimethyl)silyl]-S-phenylsulfonimidoyl]-2-fluoro-1-phenylethanone

2-[N-[tert-butyl(dimethyl)silyl]-S-phenylsulfonimidoyl]-2-fluoro-1-phenylethanone (PubChem CID 102346704) has the molecular formula C20H26FNO2SSi and a molecular weight of 391.58 g/mol. Its IUPAC name is 2-[N-[tert-butyl(dimethyl)silyl]-S-phenylsulfonimidoyl]-2-fluoro-1-phenylethanone.

Molecular Properties

Compound Name2-[N-[tert-butyl(dimethyl)silyl]-S-phenylsulfonimidoyl]-2-fluoro-1-phenylethanone
PubChem CID102346704
Molecular FormulaC20H26FNO2SSi
Molecular Weight391.58 g/mol
Exact Mass391.14
IUPAC Name2-[N-[tert-butyl(dimethyl)silyl]-S-phenylsulfonimidoyl]-2-fluoro-1-phenylethanone
SMILESCC(C)(C)[Si](C)(C)N=S(=O)(c1ccccc1)C(F)C(=O)c1ccccc1
InChIInChI=1S/C20H26FNO2SSi/c1-20(2,3)26(4,5)22-25(24,17-14-10-7-11-15-17)19(21)18(23)16-12-8-6-9-13-16/h6-15,19H,1-5H3
InChIKeyCVRJDVVTBAWPGO-UHFFFAOYSA-N
XLogP5.70
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.58
LogP ≤ 55.70
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

tert-butyl-[(1,1-difluoroethyl-oxo-phenyl-λ6-sulfanylidene)amino]-dimethylsilane
CID 146029337
tert-butyl (2S,3S)-3-(benzenesulfonyl)-2-benzoylbutanoate
CID 10762873
(NZ)-N-[[tert-butyl(dimethyl)silyl]-phenylmethylidene]benzenesulfonamide
CID 164665268
benzoic acid;tert-butyl-hydroxy-dimethylsilane
CID 71403721
tert-butyl 2-benzoyl-3,3,3-trifluoropropanoate
CID 15001701
trifluoromethyl 2-methyl-3-oxo-3-phenylpropanoate
CID 70173692
1-(benzenesulfonyl)-2-methylpropan-2-ol;benzoic acid
CID 71349270
2,2-dimethyl-N-[oxo-phenyl-(trifluoromethyl)-λ6-sulfanylidene]propanamide
CID 102442189
N-(1-oxo-1-phenylpropan-2-yl)benzenesulfonamide
CID 13293562
[1-(benzenesulfonamido)-3-oxo-1,3-diphenylpropan-2-yl]-dimethylsulfanium
CID 10788532
benzenesulfonyl-(2-dimethylsulfonio-3-oxo-1,3-diphenylpropyl)azanide
CID 10788531
2-[tert-butyl(dimethyl)silyl]oxy-1-phenyl-2-pyridin-4-ylethanone
CID 10758614

Frequently Asked Questions

What is the IUPAC name of 2-[N-[tert-butyl(dimethyl)silyl]-S-phenylsulfonimidoyl]-2-fluoro-1-phenylethanone?
The IUPAC name of 2-[N-[tert-butyl(dimethyl)silyl]-S-phenylsulfonimidoyl]-2-fluoro-1-phenylethanone (CID 102346704) is 2-[N-[tert-butyl(dimethyl)silyl]-S-phenylsulfonimidoyl]-2-fluoro-1-phenylethanone.
What is the SMILES notation for 2-[N-[tert-butyl(dimethyl)silyl]-S-phenylsulfonimidoyl]-2-fluoro-1-phenylethanone?
The canonical SMILES for 2-[N-[tert-butyl(dimethyl)silyl]-S-phenylsulfonimidoyl]-2-fluoro-1-phenylethanone is CC(C)(C)[Si](C)(C)N=S(=O)(c1ccccc1)C(F)C(=O)c1ccccc1.
What is the InChIKey of 2-[N-[tert-butyl(dimethyl)silyl]-S-phenylsulfonimidoyl]-2-fluoro-1-phenylethanone?
The InChIKey is CVRJDVVTBAWPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FNO2SSi/c1-20(2,3)26(4,5)22-25(24,17-14-10-7-11-15-17)19(21)18(23)16-12-8-6-9-13-16/h6-15,19H,1-5H3.
What are the key properties of 2-[N-[tert-butyl(dimethyl)silyl]-S-phenylsulfonimidoyl]-2-fluoro-1-phenylethanone?
2-[N-[tert-butyl(dimethyl)silyl]-S-phenylsulfonimidoyl]-2-fluoro-1-phenylethanone has a molecular weight of 391.58 g/mol, XLogP of 5.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-[tert-butyl(dimethyl)silyl]-S-phenylsulfonimidoyl]-2-fluoro-1-phenylethanone is sourced from PubChem (CID 102346704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).