2-[4-[tert-butyl(dimethyl)silyl]oxy-5,5,5-trifluoro-2-methylpentan-2-yl]benzenesulfonamide

C18H30F3NO3SSi — CID 58026154

IUPAC2-[4-[tert-butyl(dimethyl)silyl]oxy-5,5,5-trifluoro-2-methylpentan-2-yl]benzenesulfonamide
SMILESCC(C)(CC(O[Si](C)(C)C(C)(C)C)C(F)(F)F)c1ccccc1S(N)(=O)=O
InChIInChI=1S/C18H30F3NO3SSi/c1-16(2,3)27(6,7)25-15(18(19,20)21)12-17(4,5)13-10-8-9-11-14(13)26(22,23)24/h8-11,15H,12H2,1-7H3,(H2,22,23,24)
InChIKeyAPBJYZHMJALICP-UHFFFAOYSA-N
MW425.59 g/mol
LogP4.95
Rot. Bonds6

About 2-[4-[tert-butyl(dimethyl)silyl]oxy-5,5,5-trifluoro-2-methylpentan-2-yl]benzenesulfonamide

2-[4-[tert-butyl(dimethyl)silyl]oxy-5,5,5-trifluoro-2-methylpentan-2-yl]benzenesulfonamide (PubChem CID 58026154) has the molecular formula C18H30F3NO3SSi and a molecular weight of 425.59 g/mol. Its IUPAC name is 2-[4-[tert-butyl(dimethyl)silyl]oxy-5,5,5-trifluoro-2-methylpentan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-[4-[tert-butyl(dimethyl)silyl]oxy-5,5,5-trifluoro-2-methylpentan-2-yl]benzenesulfonamide
PubChem CID58026154
Molecular FormulaC18H30F3NO3SSi
Molecular Weight425.59 g/mol
Exact Mass425.17
IUPAC Name2-[4-[tert-butyl(dimethyl)silyl]oxy-5,5,5-trifluoro-2-methylpentan-2-yl]benzenesulfonamide
SMILESCC(C)(CC(O[Si](C)(C)C(C)(C)C)C(F)(F)F)c1ccccc1S(N)(=O)=O
InChIInChI=1S/C18H30F3NO3SSi/c1-16(2,3)27(6,7)25-15(18(19,20)21)12-17(4,5)13-10-8-9-11-14(13)26(22,23)24/h8-11,15H,12H2,1-7H3,(H2,22,23,24)
InChIKeyAPBJYZHMJALICP-UHFFFAOYSA-N
XLogP4.95
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.59
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[tert-butyl(dimethyl)silyl]oxy-5,5,5-trifluoro-2-methylpentan-2-yl]benzenesulfonamide?
The IUPAC name of 2-[4-[tert-butyl(dimethyl)silyl]oxy-5,5,5-trifluoro-2-methylpentan-2-yl]benzenesulfonamide (CID 58026154) is 2-[4-[tert-butyl(dimethyl)silyl]oxy-5,5,5-trifluoro-2-methylpentan-2-yl]benzenesulfonamide.
What is the SMILES notation for 2-[4-[tert-butyl(dimethyl)silyl]oxy-5,5,5-trifluoro-2-methylpentan-2-yl]benzenesulfonamide?
The canonical SMILES for 2-[4-[tert-butyl(dimethyl)silyl]oxy-5,5,5-trifluoro-2-methylpentan-2-yl]benzenesulfonamide is CC(C)(CC(O[Si](C)(C)C(C)(C)C)C(F)(F)F)c1ccccc1S(N)(=O)=O.
What is the InChIKey of 2-[4-[tert-butyl(dimethyl)silyl]oxy-5,5,5-trifluoro-2-methylpentan-2-yl]benzenesulfonamide?
The InChIKey is APBJYZHMJALICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30F3NO3SSi/c1-16(2,3)27(6,7)25-15(18(19,20)21)12-17(4,5)13-10-8-9-11-14(13)26(22,23)24/h8-11,15H,12H2,1-7H3,(H2,22,23,24).
What are the key properties of 2-[4-[tert-butyl(dimethyl)silyl]oxy-5,5,5-trifluoro-2-methylpentan-2-yl]benzenesulfonamide?
2-[4-[tert-butyl(dimethyl)silyl]oxy-5,5,5-trifluoro-2-methylpentan-2-yl]benzenesulfonamide has a molecular weight of 425.59 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[tert-butyl(dimethyl)silyl]oxy-5,5,5-trifluoro-2-methylpentan-2-yl]benzenesulfonamide is sourced from PubChem (CID 58026154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).