8-(2-chlorophenyl)sulfonyl-6-hydroxy-6-methyl-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one

C22H22ClF3N2O5S — CID 56602769

IUPAC8-(2-chlorophenyl)sulfonyl-6-hydroxy-6-methyl-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCC1(O)CN(S(=O)(=O)c2ccccc2Cl)CCC12CCN(c1ccc(OC(F)(F)F)cc1)C2=O
InChIInChI=1S/C22H22ClF3N2O5S/c1-20(30)14-27(34(31,32)18-5-3-2-4-17(18)23)12-10-21(20)11-13-28(19(21)29)15-6-8-16(9-7-15)33-22(24,25)26/h2-9,30H,10-14H2,1H3
InChIKeyLZQOFODQYKDVGM-UHFFFAOYSA-N
MW518.94 g/mol
LogP3.81
Rot. Bonds4

About 8-(2-chlorophenyl)sulfonyl-6-hydroxy-6-methyl-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one

8-(2-chlorophenyl)sulfonyl-6-hydroxy-6-methyl-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 56602769) has the molecular formula C22H22ClF3N2O5S and a molecular weight of 518.94 g/mol. Its IUPAC name is 8-(2-chlorophenyl)sulfonyl-6-hydroxy-6-methyl-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-(2-chlorophenyl)sulfonyl-6-hydroxy-6-methyl-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID56602769
Molecular FormulaC22H22ClF3N2O5S
Molecular Weight518.94 g/mol
Exact Mass518.09
IUPAC Name8-(2-chlorophenyl)sulfonyl-6-hydroxy-6-methyl-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCC1(O)CN(S(=O)(=O)c2ccccc2Cl)CCC12CCN(c1ccc(OC(F)(F)F)cc1)C2=O
InChIInChI=1S/C22H22ClF3N2O5S/c1-20(30)14-27(34(31,32)18-5-3-2-4-17(18)23)12-10-21(20)11-13-28(19(21)29)15-6-8-16(9-7-15)33-22(24,25)26/h2-9,30H,10-14H2,1H3
InChIKeyLZQOFODQYKDVGM-UHFFFAOYSA-N
XLogP3.81
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.94
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-(2-chlorophenyl)sulfonyl-6-hydroxy-6-methyl-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(2-chlorophenyl)sulfonyl-6-hydroxy-6-methyl-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-(2-chlorophenyl)sulfonyl-6-hydroxy-6-methyl-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one (CID 56602769) is 8-(2-chlorophenyl)sulfonyl-6-hydroxy-6-methyl-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-(2-chlorophenyl)sulfonyl-6-hydroxy-6-methyl-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-(2-chlorophenyl)sulfonyl-6-hydroxy-6-methyl-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one is CC1(O)CN(S(=O)(=O)c2ccccc2Cl)CCC12CCN(c1ccc(OC(F)(F)F)cc1)C2=O.
What is the InChIKey of 8-(2-chlorophenyl)sulfonyl-6-hydroxy-6-methyl-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is LZQOFODQYKDVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClF3N2O5S/c1-20(30)14-27(34(31,32)18-5-3-2-4-17(18)23)12-10-21(20)11-13-28(19(21)29)15-6-8-16(9-7-15)33-22(24,25)26/h2-9,30H,10-14H2,1H3.
What are the key properties of 8-(2-chlorophenyl)sulfonyl-6-hydroxy-6-methyl-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one?
8-(2-chlorophenyl)sulfonyl-6-hydroxy-6-methyl-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 518.94 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-chlorophenyl)sulfonyl-6-hydroxy-6-methyl-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 56602769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).