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

C23H24ClF3N2O5S — CID 56602715

IUPAC8-(2-chlorophenyl)sulfonyl-6-hydroxy-2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCC(Oc1ccc(N2CCC3(CCN(S(=O)(=O)c4ccccc4Cl)CC3O)C2=O)cc1)C(F)(F)F
InChIInChI=1S/C23H24ClF3N2O5S/c1-15(23(25,26)27)34-17-8-6-16(7-9-17)29-13-11-22(21(29)31)10-12-28(14-20(22)30)35(32,33)19-5-3-2-4-18(19)24/h2-9,15,20,30H,10-14H2,1H3
InChIKeyZVJNBRHLPLFITE-UHFFFAOYSA-N
MW532.97 g/mol
LogP3.85
Rot. Bonds5

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

8-(2-chlorophenyl)sulfonyl-6-hydroxy-2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 56602715) has the molecular formula C23H24ClF3N2O5S and a molecular weight of 532.97 g/mol. Its IUPAC name is 8-(2-chlorophenyl)sulfonyl-6-hydroxy-2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-(2-chlorophenyl)sulfonyl-6-hydroxy-2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID56602715
Molecular FormulaC23H24ClF3N2O5S
Molecular Weight532.97 g/mol
Exact Mass532.10
IUPAC Name8-(2-chlorophenyl)sulfonyl-6-hydroxy-2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCC(Oc1ccc(N2CCC3(CCN(S(=O)(=O)c4ccccc4Cl)CC3O)C2=O)cc1)C(F)(F)F
InChIInChI=1S/C23H24ClF3N2O5S/c1-15(23(25,26)27)34-17-8-6-16(7-9-17)29-13-11-22(21(29)31)10-12-28(14-20(22)30)35(32,33)19-5-3-2-4-18(19)24/h2-9,15,20,30H,10-14H2,1H3
InChIKeyZVJNBRHLPLFITE-UHFFFAOYSA-N
XLogP3.85
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.97
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(2-chlorophenyl)sulfonyl-6-hydroxy-2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-(2-chlorophenyl)sulfonyl-6-hydroxy-2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one (CID 56602715) is 8-(2-chlorophenyl)sulfonyl-6-hydroxy-2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-(2-chlorophenyl)sulfonyl-6-hydroxy-2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-(2-chlorophenyl)sulfonyl-6-hydroxy-2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one is CC(Oc1ccc(N2CCC3(CCN(S(=O)(=O)c4ccccc4Cl)CC3O)C2=O)cc1)C(F)(F)F.
What is the InChIKey of 8-(2-chlorophenyl)sulfonyl-6-hydroxy-2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is ZVJNBRHLPLFITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClF3N2O5S/c1-15(23(25,26)27)34-17-8-6-16(7-9-17)29-13-11-22(21(29)31)10-12-28(14-20(22)30)35(32,33)19-5-3-2-4-18(19)24/h2-9,15,20,30H,10-14H2,1H3.
What are the key properties of 8-(2-chlorophenyl)sulfonyl-6-hydroxy-2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one?
8-(2-chlorophenyl)sulfonyl-6-hydroxy-2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 532.97 g/mol, XLogP of 3.85, 5 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-(1,1,1-trifluoropropan-2-yloxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 56602715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).