8-(2-chlorophenyl)sulfonyl-2-[2-(4-fluorophenyl)ethyl]-2,8-diazaspiro[4.5]decane

C22H26ClFN2O2S — CID 66786899

IUPAC8-(2-chlorophenyl)sulfonyl-2-[2-(4-fluorophenyl)ethyl]-2,8-diazaspiro[4.5]decane
SMILESO=S(=O)(c1ccccc1Cl)N1CCC2(CCN(CCc3ccc(F)cc3)C2)CC1
InChIInChI=1S/C22H26ClFN2O2S/c23-20-3-1-2-4-21(20)29(27,28)26-15-11-22(12-16-26)10-14-25(17-22)13-9-18-5-7-19(24)8-6-18/h1-8H,9-17H2
InChIKeyDNWVAVVRUGBGOM-UHFFFAOYSA-N
MW436.98 g/mol
LogP4.20
Rot. Bonds5

About 8-(2-chlorophenyl)sulfonyl-2-[2-(4-fluorophenyl)ethyl]-2,8-diazaspiro[4.5]decane

8-(2-chlorophenyl)sulfonyl-2-[2-(4-fluorophenyl)ethyl]-2,8-diazaspiro[4.5]decane (PubChem CID 66786899) has the molecular formula C22H26ClFN2O2S and a molecular weight of 436.98 g/mol. Its IUPAC name is 8-(2-chlorophenyl)sulfonyl-2-[2-(4-fluorophenyl)ethyl]-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-(2-chlorophenyl)sulfonyl-2-[2-(4-fluorophenyl)ethyl]-2,8-diazaspiro[4.5]decane
PubChem CID66786899
Molecular FormulaC22H26ClFN2O2S
Molecular Weight436.98 g/mol
Exact Mass436.14
IUPAC Name8-(2-chlorophenyl)sulfonyl-2-[2-(4-fluorophenyl)ethyl]-2,8-diazaspiro[4.5]decane
SMILESO=S(=O)(c1ccccc1Cl)N1CCC2(CCN(CCc3ccc(F)cc3)C2)CC1
InChIInChI=1S/C22H26ClFN2O2S/c23-20-3-1-2-4-21(20)29(27,28)26-15-11-22(12-16-26)10-14-25(17-22)13-9-18-5-7-19(24)8-6-18/h1-8H,9-17H2
InChIKeyDNWVAVVRUGBGOM-UHFFFAOYSA-N
XLogP4.20
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.98
LogP ≤ 54.20
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-[2-(4-fluorophenyl)ethyl]-2,8-diazaspiro[4.5]decane?
The IUPAC name of 8-(2-chlorophenyl)sulfonyl-2-[2-(4-fluorophenyl)ethyl]-2,8-diazaspiro[4.5]decane (CID 66786899) is 8-(2-chlorophenyl)sulfonyl-2-[2-(4-fluorophenyl)ethyl]-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-(2-chlorophenyl)sulfonyl-2-[2-(4-fluorophenyl)ethyl]-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-(2-chlorophenyl)sulfonyl-2-[2-(4-fluorophenyl)ethyl]-2,8-diazaspiro[4.5]decane is O=S(=O)(c1ccccc1Cl)N1CCC2(CCN(CCc3ccc(F)cc3)C2)CC1.
What is the InChIKey of 8-(2-chlorophenyl)sulfonyl-2-[2-(4-fluorophenyl)ethyl]-2,8-diazaspiro[4.5]decane?
The InChIKey is DNWVAVVRUGBGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClFN2O2S/c23-20-3-1-2-4-21(20)29(27,28)26-15-11-22(12-16-26)10-14-25(17-22)13-9-18-5-7-19(24)8-6-18/h1-8H,9-17H2.
What are the key properties of 8-(2-chlorophenyl)sulfonyl-2-[2-(4-fluorophenyl)ethyl]-2,8-diazaspiro[4.5]decane?
8-(2-chlorophenyl)sulfonyl-2-[2-(4-fluorophenyl)ethyl]-2,8-diazaspiro[4.5]decane has a molecular weight of 436.98 g/mol, XLogP of 4.20, 5 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-[2-(4-fluorophenyl)ethyl]-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 66786899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).