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

C21H20ClF3N2O5S — CID 56602660

IUPAC8-(2-chlorophenyl)sulfonyl-6-hydroxy-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1N(c2ccc(OC(F)(F)F)cc2)CCC12CCN(S(=O)(=O)c1ccccc1Cl)CC2O
InChIInChI=1S/C21H20ClF3N2O5S/c22-16-3-1-2-4-17(16)33(30,31)26-11-9-20(18(28)13-26)10-12-27(19(20)29)14-5-7-15(8-6-14)32-21(23,24)25/h1-8,18,28H,9-13H2
InChIKeyHOEIVAXYAXPMJR-UHFFFAOYSA-N
MW504.91 g/mol
LogP3.42
Rot. Bonds4

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

8-(2-chlorophenyl)sulfonyl-6-hydroxy-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 56602660) has the molecular formula C21H20ClF3N2O5S and a molecular weight of 504.91 g/mol. Its IUPAC name is 8-(2-chlorophenyl)sulfonyl-6-hydroxy-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-(2-chlorophenyl)sulfonyl-6-hydroxy-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID56602660
Molecular FormulaC21H20ClF3N2O5S
Molecular Weight504.91 g/mol
Exact Mass504.07
IUPAC Name8-(2-chlorophenyl)sulfonyl-6-hydroxy-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1N(c2ccc(OC(F)(F)F)cc2)CCC12CCN(S(=O)(=O)c1ccccc1Cl)CC2O
InChIInChI=1S/C21H20ClF3N2O5S/c22-16-3-1-2-4-17(16)33(30,31)26-11-9-20(18(28)13-26)10-12-27(19(20)29)14-5-7-15(8-6-14)32-21(23,24)25/h1-8,18,28H,9-13H2
InChIKeyHOEIVAXYAXPMJR-UHFFFAOYSA-N
XLogP3.42
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.91
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-(2-chlorophenyl)sulfonyl-6-hydroxy-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-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-(2-chlorophenyl)sulfonyl-6-hydroxy-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one (CID 56602660) is 8-(2-chlorophenyl)sulfonyl-6-hydroxy-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-(2-chlorophenyl)sulfonyl-6-hydroxy-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-(2-chlorophenyl)sulfonyl-6-hydroxy-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one is O=C1N(c2ccc(OC(F)(F)F)cc2)CCC12CCN(S(=O)(=O)c1ccccc1Cl)CC2O.
What is the InChIKey of 8-(2-chlorophenyl)sulfonyl-6-hydroxy-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is HOEIVAXYAXPMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClF3N2O5S/c22-16-3-1-2-4-17(16)33(30,31)26-11-9-20(18(28)13-26)10-12-27(19(20)29)14-5-7-15(8-6-14)32-21(23,24)25/h1-8,18,28H,9-13H2.
What are the key properties of 8-(2-chlorophenyl)sulfonyl-6-hydroxy-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one?
8-(2-chlorophenyl)sulfonyl-6-hydroxy-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 504.91 g/mol, XLogP of 3.42, 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-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 56602660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).