N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,4-bis(fluoromethyl)benzenesulfonamide

C16H27F2NO3SSi — CID 91267901

IUPACN-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,4-bis(fluoromethyl)benzenesulfonamide
SMILESCC(C)(C)[Si](C)(C)OCCNS(=O)(=O)c1ccc(CF)cc1CF
InChIInChI=1S/C16H27F2NO3SSi/c1-16(2,3)24(4,5)22-9-8-19-23(20,21)15-7-6-13(11-17)10-14(15)12-18/h6-7,10,19H,8-9,11-12H2,1-5H3
InChIKeyOVKYKGIUACAWAQ-UHFFFAOYSA-N
MW379.55 g/mol
LogP3.93
Rot. Bonds8

About N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,4-bis(fluoromethyl)benzenesulfonamide

N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,4-bis(fluoromethyl)benzenesulfonamide (PubChem CID 91267901) has the molecular formula C16H27F2NO3SSi and a molecular weight of 379.55 g/mol. Its IUPAC name is N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,4-bis(fluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,4-bis(fluoromethyl)benzenesulfonamide
PubChem CID91267901
Molecular FormulaC16H27F2NO3SSi
Molecular Weight379.55 g/mol
Exact Mass379.14
IUPAC NameN-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,4-bis(fluoromethyl)benzenesulfonamide
SMILESCC(C)(C)[Si](C)(C)OCCNS(=O)(=O)c1ccc(CF)cc1CF
InChIInChI=1S/C16H27F2NO3SSi/c1-16(2,3)24(4,5)22-9-8-19-23(20,21)15-7-6-13(11-17)10-14(15)12-18/h6-7,10,19H,8-9,11-12H2,1-5H3
InChIKeyOVKYKGIUACAWAQ-UHFFFAOYSA-N
XLogP3.93
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyethyl)-2,4,6-trimethylbenzenesulfonamide
CID 2836113
N-(2-methoxyethyl)-2,4,6-trimethylbenzenesulfonamide
CID 2057946
4-methyl-N-[3-[tris(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl]propyl]benzenesulfonamide
CID 10534456
2,4,6-trimethyl-N-(2,2,2-trifluoro-1-hydroxymethylethyl)benzenesulfonamide
CID 57474035
N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,4-difluorobenzenesulfonamide
CID 57663173
N-(1-methoxy-2-methylpropan-2-yl)-4-methyl-2-(trifluoromethyl)benzenesulfonamide
CID 70913386
4-methyl-N-propyl-2-(trifluoromethyl)benzenesulfonamide
CID 117715837
4-methyl-N-[(3-methyloxetan-3-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 117715867
N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxyhexa-3,4-dien-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 15537762
N-[1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl]-4-methylbenzenesulfonamide
CID 45142384
N-[(E)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enyl]-4-methylbenzenesulfonamide
CID 102032128
N-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyhexa-4,5-dienyl]-4-methylbenzenesulfonamide
CID 134874960

Frequently Asked Questions

What is the IUPAC name of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,4-bis(fluoromethyl)benzenesulfonamide?
The IUPAC name of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,4-bis(fluoromethyl)benzenesulfonamide (CID 91267901) is N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,4-bis(fluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,4-bis(fluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,4-bis(fluoromethyl)benzenesulfonamide is CC(C)(C)[Si](C)(C)OCCNS(=O)(=O)c1ccc(CF)cc1CF.
What is the InChIKey of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,4-bis(fluoromethyl)benzenesulfonamide?
The InChIKey is OVKYKGIUACAWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27F2NO3SSi/c1-16(2,3)24(4,5)22-9-8-19-23(20,21)15-7-6-13(11-17)10-14(15)12-18/h6-7,10,19H,8-9,11-12H2,1-5H3.
What are the key properties of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,4-bis(fluoromethyl)benzenesulfonamide?
N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,4-bis(fluoromethyl)benzenesulfonamide has a molecular weight of 379.55 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,4-bis(fluoromethyl)benzenesulfonamide is sourced from PubChem (CID 91267901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).