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

C20H21ClN2O3S — CID 123139867

IUPAC8-(2-chlorophenyl)sulfonyl-2-phenyl-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1N(c2ccccc2)CCC12CCN(S(=O)(=O)c1ccccc1Cl)CC2
InChIInChI=1S/C20H21ClN2O3S/c21-17-8-4-5-9-18(17)27(25,26)22-13-10-20(11-14-22)12-15-23(19(20)24)16-6-2-1-3-7-16/h1-9H,10-15H2
InChIKeyFHBCRHCUHNOIFN-UHFFFAOYSA-N
MW404.92 g/mol
LogP3.55
Rot. Bonds3

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

8-(2-chlorophenyl)sulfonyl-2-phenyl-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 123139867) has the molecular formula C20H21ClN2O3S and a molecular weight of 404.92 g/mol. Its IUPAC name is 8-(2-chlorophenyl)sulfonyl-2-phenyl-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-(2-chlorophenyl)sulfonyl-2-phenyl-2,8-diazaspiro[4.5]decan-1-one
PubChem CID123139867
Molecular FormulaC20H21ClN2O3S
Molecular Weight404.92 g/mol
Exact Mass404.10
IUPAC Name8-(2-chlorophenyl)sulfonyl-2-phenyl-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1N(c2ccccc2)CCC12CCN(S(=O)(=O)c1ccccc1Cl)CC2
InChIInChI=1S/C20H21ClN2O3S/c21-17-8-4-5-9-18(17)27(25,26)22-13-10-20(11-14-22)12-15-23(19(20)24)16-6-2-1-3-7-16/h1-9H,10-15H2
InChIKeyFHBCRHCUHNOIFN-UHFFFAOYSA-N
XLogP3.55
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.92
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(2-chlorophenyl)sulfonyl-2-phenyl-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-(2-chlorophenyl)sulfonyl-2-phenyl-2,8-diazaspiro[4.5]decan-1-one (CID 123139867) is 8-(2-chlorophenyl)sulfonyl-2-phenyl-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-(2-chlorophenyl)sulfonyl-2-phenyl-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-(2-chlorophenyl)sulfonyl-2-phenyl-2,8-diazaspiro[4.5]decan-1-one is O=C1N(c2ccccc2)CCC12CCN(S(=O)(=O)c1ccccc1Cl)CC2.
What is the InChIKey of 8-(2-chlorophenyl)sulfonyl-2-phenyl-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is FHBCRHCUHNOIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O3S/c21-17-8-4-5-9-18(17)27(25,26)22-13-10-20(11-14-22)12-15-23(19(20)24)16-6-2-1-3-7-16/h1-9H,10-15H2.
What are the key properties of 8-(2-chlorophenyl)sulfonyl-2-phenyl-2,8-diazaspiro[4.5]decan-1-one?
8-(2-chlorophenyl)sulfonyl-2-phenyl-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 404.92 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-chlorophenyl)sulfonyl-2-phenyl-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 123139867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).