[2-(benzenesulfonyl)-2-deuterio-1-phenylethyl]-trimethylsilane

C17H22O2SSi — CID 13173223

IUPAC[2-(benzenesulfonyl)-2-deuterio-1-phenylethyl]-trimethylsilane
SMILES[2H]C(C(c1ccccc1)[Si](C)(C)C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H22O2SSi/c1-21(2,3)17(15-10-6-4-7-11-15)14-20(18,19)16-12-8-5-9-13-16/h4-13,17H,14H2,1-3H3/i14D
InChIKeyFJPZZGIAWUWDKL-FCFVPJCTSA-N
MW319.52 g/mol
LogP4.12
Rot. Bonds5

About [2-(benzenesulfonyl)-2-deuterio-1-phenylethyl]-trimethylsilane

[2-(benzenesulfonyl)-2-deuterio-1-phenylethyl]-trimethylsilane (PubChem CID 13173223) has the molecular formula C17H22O2SSi and a molecular weight of 319.52 g/mol. Its IUPAC name is [2-(benzenesulfonyl)-2-deuterio-1-phenylethyl]-trimethylsilane.

Molecular Properties

Compound Name[2-(benzenesulfonyl)-2-deuterio-1-phenylethyl]-trimethylsilane
PubChem CID13173223
Molecular FormulaC17H22O2SSi
Molecular Weight319.52 g/mol
Exact Mass319.12
IUPAC Name[2-(benzenesulfonyl)-2-deuterio-1-phenylethyl]-trimethylsilane
SMILES[2H]C(C(c1ccccc1)[Si](C)(C)C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H22O2SSi/c1-21(2,3)17(15-10-6-4-7-11-15)14-20(18,19)16-12-8-5-9-13-16/h4-13,17H,14H2,1-3H3/i14D
InChIKeyFJPZZGIAWUWDKL-FCFVPJCTSA-N
XLogP4.12
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.52
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-benzylsulfonyl-1-phenylethyl)-trimethylsilane
CID 10544593
2-phenyl-2-trimethylsilylethanesulfinate
CID 57176564
[2-(benzenesulfonyl)-1-fluoroethyl]benzene
CID 72723300
N-methyl-3-phenyl-3-trimethylsilylpropanamide
CID 16732522
6-(benzenesulfonyl)hexan-3-ol
CID 106808103
2-fluoroethylsulfonylbenzene
CID 66796542
1-[(R)-bromo(phenyl)methyl]-4-ethylsulfonylbenzene
CID 93484609
1-(benzenesulfonyl)propan-2-amine
CID 62917209
(2S)-1-(benzenesulfonyl)propan-2-ol
CID 11127286
(3S)-3-[2-(benzenesulfonyl)ethyl]-N,3-dimethyl-N-[(1R)-1-phenylethyl]azirin-2-amine
CID 15816893
(1R,2S)-2-[2-(benzenesulfonyl)ethyl-methylamino]-1-phenylpropan-1-ol
CID 11256082
2-(benzenesulfonyl)-N-methylethanamine;hydrochloride
CID 155973548

Frequently Asked Questions

What is the IUPAC name of [2-(benzenesulfonyl)-2-deuterio-1-phenylethyl]-trimethylsilane?
The IUPAC name of [2-(benzenesulfonyl)-2-deuterio-1-phenylethyl]-trimethylsilane (CID 13173223) is [2-(benzenesulfonyl)-2-deuterio-1-phenylethyl]-trimethylsilane.
What is the SMILES notation for [2-(benzenesulfonyl)-2-deuterio-1-phenylethyl]-trimethylsilane?
The canonical SMILES for [2-(benzenesulfonyl)-2-deuterio-1-phenylethyl]-trimethylsilane is [2H]C(C(c1ccccc1)[Si](C)(C)C)S(=O)(=O)c1ccccc1.
What is the InChIKey of [2-(benzenesulfonyl)-2-deuterio-1-phenylethyl]-trimethylsilane?
The InChIKey is FJPZZGIAWUWDKL-FCFVPJCTSA-N. The full InChI is InChI=1S/C17H22O2SSi/c1-21(2,3)17(15-10-6-4-7-11-15)14-20(18,19)16-12-8-5-9-13-16/h4-13,17H,14H2,1-3H3/i14D.
What are the key properties of [2-(benzenesulfonyl)-2-deuterio-1-phenylethyl]-trimethylsilane?
[2-(benzenesulfonyl)-2-deuterio-1-phenylethyl]-trimethylsilane has a molecular weight of 319.52 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzenesulfonyl)-2-deuterio-1-phenylethyl]-trimethylsilane is sourced from PubChem (CID 13173223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).