1-benzylsulfonyl-2-(trifluoromethyl)spiro[2H-indole-3,2'-oxolane]

C19H18F3NO3S — CID 176891896

IUPAC1-benzylsulfonyl-2-(trifluoromethyl)spiro[2H-indole-3,2'-oxolane]
SMILESO=S(=O)(Cc1ccccc1)N1c2ccccc2C2(CCCO2)C1C(F)(F)F
InChIInChI=1S/C19H18F3NO3S/c20-19(21,22)17-18(11-6-12-26-18)15-9-4-5-10-16(15)23(17)27(24,25)13-14-7-2-1-3-8-14/h1-5,7-10,17H,6,11-13H2
InChIKeyWMAKNVBEGKQQEV-UHFFFAOYSA-N
MW397.42 g/mol
LogP3.97
Rot. Bonds3

About 1-benzylsulfonyl-2-(trifluoromethyl)spiro[2H-indole-3,2'-oxolane]

1-benzylsulfonyl-2-(trifluoromethyl)spiro[2H-indole-3,2'-oxolane] (PubChem CID 176891896) has the molecular formula C19H18F3NO3S and a molecular weight of 397.42 g/mol. Its IUPAC name is 1-benzylsulfonyl-2-(trifluoromethyl)spiro[2H-indole-3,2'-oxolane].

Molecular Properties

Compound Name1-benzylsulfonyl-2-(trifluoromethyl)spiro[2H-indole-3,2'-oxolane]
PubChem CID176891896
Molecular FormulaC19H18F3NO3S
Molecular Weight397.42 g/mol
Exact Mass397.10
IUPAC Name1-benzylsulfonyl-2-(trifluoromethyl)spiro[2H-indole-3,2'-oxolane]
SMILESO=S(=O)(Cc1ccccc1)N1c2ccccc2C2(CCCO2)C1C(F)(F)F
InChIInChI=1S/C19H18F3NO3S/c20-19(21,22)17-18(11-6-12-26-18)15-9-4-5-10-16(15)23(17)27(24,25)13-14-7-2-1-3-8-14/h1-5,7-10,17H,6,11-13H2
InChIKeyWMAKNVBEGKQQEV-UHFFFAOYSA-N
XLogP3.97
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.42
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzylsulfonyl-2-(trifluoromethyl)spiro[2H-indole-3,2'-oxolane]?
The IUPAC name of 1-benzylsulfonyl-2-(trifluoromethyl)spiro[2H-indole-3,2'-oxolane] (CID 176891896) is 1-benzylsulfonyl-2-(trifluoromethyl)spiro[2H-indole-3,2'-oxolane].
What is the SMILES notation for 1-benzylsulfonyl-2-(trifluoromethyl)spiro[2H-indole-3,2'-oxolane]?
The canonical SMILES for 1-benzylsulfonyl-2-(trifluoromethyl)spiro[2H-indole-3,2'-oxolane] is O=S(=O)(Cc1ccccc1)N1c2ccccc2C2(CCCO2)C1C(F)(F)F.
What is the InChIKey of 1-benzylsulfonyl-2-(trifluoromethyl)spiro[2H-indole-3,2'-oxolane]?
The InChIKey is WMAKNVBEGKQQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO3S/c20-19(21,22)17-18(11-6-12-26-18)15-9-4-5-10-16(15)23(17)27(24,25)13-14-7-2-1-3-8-14/h1-5,7-10,17H,6,11-13H2.
What are the key properties of 1-benzylsulfonyl-2-(trifluoromethyl)spiro[2H-indole-3,2'-oxolane]?
1-benzylsulfonyl-2-(trifluoromethyl)spiro[2H-indole-3,2'-oxolane] has a molecular weight of 397.42 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfonyl-2-(trifluoromethyl)spiro[2H-indole-3,2'-oxolane] is sourced from PubChem (CID 176891896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).