8-(2-chlorophenyl)sulfonyl-2-[4-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decane

C21H22ClF3N2O2S — CID 123201368

IUPAC8-(2-chlorophenyl)sulfonyl-2-[4-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decane
SMILESO=S(=O)(c1ccccc1Cl)N1CCC2(CCN(c3ccc(C(F)(F)F)cc3)C2)CC1
InChIInChI=1S/C21H22ClF3N2O2S/c22-18-3-1-2-4-19(18)30(28,29)27-13-10-20(11-14-27)9-12-26(15-20)17-7-5-16(6-8-17)21(23,24)25/h1-8H,9-15H2
InChIKeyFXHZRDBVYHSVNL-UHFFFAOYSA-N
MW458.93 g/mol
LogP5.04
Rot. Bonds3

About 8-(2-chlorophenyl)sulfonyl-2-[4-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decane

8-(2-chlorophenyl)sulfonyl-2-[4-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decane (PubChem CID 123201368) has the molecular formula C21H22ClF3N2O2S and a molecular weight of 458.93 g/mol. Its IUPAC name is 8-(2-chlorophenyl)sulfonyl-2-[4-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-(2-chlorophenyl)sulfonyl-2-[4-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decane
PubChem CID123201368
Molecular FormulaC21H22ClF3N2O2S
Molecular Weight458.93 g/mol
Exact Mass458.10
IUPAC Name8-(2-chlorophenyl)sulfonyl-2-[4-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decane
SMILESO=S(=O)(c1ccccc1Cl)N1CCC2(CCN(c3ccc(C(F)(F)F)cc3)C2)CC1
InChIInChI=1S/C21H22ClF3N2O2S/c22-18-3-1-2-4-19(18)30(28,29)27-13-10-20(11-14-27)9-12-26(15-20)17-7-5-16(6-8-17)21(23,24)25/h1-8H,9-15H2
InChIKeyFXHZRDBVYHSVNL-UHFFFAOYSA-N
XLogP5.04
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.93
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-(2-chlorophenyl)sulfonyl-2-[4-(trifluoromethyl)phenyl]-2,9-diazaspiro[5.5]undecane
CID 66787483
8-(2-chlorophenyl)sulfonyl-2-(4-cyclopentyloxyphenyl)-2,8-diazaspiro[4.5]decane
CID 66787394
2-fluoro-1-[4-[8-[2-(trifluoromethyl)phenyl]sulfonyl-2,8-diazaspiro[4.5]decan-2-yl]phenyl]ethanol
CID 123462501
2-(4-cyclopropylphenyl)-8-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-2,8-diazaspiro[4.5]decane
CID 123565629
8-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decan-8-ol
CID 66577720
8-(2-chlorophenyl)sulfonyl-2-[2-(4-fluorophenyl)ethyl]-2,8-diazaspiro[4.5]decane
CID 66786899
9-(2-chlorophenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
CID 3766966
4-(2-chlorophenyl)sulfonylmorpholine
CID 7938037
9-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
CID 3516792
8-(2-chlorophenyl)sulfonyl-2-phenyl-2,8-diazaspiro[4.5]decan-1-one
CID 123139867
2-(3-chlorophenyl)-8-oxa-2-azaspiro[4.5]decane
CID 141382872
8-(2-chlorophenyl)sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 42109545

Frequently Asked Questions

What is the IUPAC name of 8-(2-chlorophenyl)sulfonyl-2-[4-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decane?
The IUPAC name of 8-(2-chlorophenyl)sulfonyl-2-[4-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decane (CID 123201368) is 8-(2-chlorophenyl)sulfonyl-2-[4-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-(2-chlorophenyl)sulfonyl-2-[4-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-(2-chlorophenyl)sulfonyl-2-[4-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decane is O=S(=O)(c1ccccc1Cl)N1CCC2(CCN(c3ccc(C(F)(F)F)cc3)C2)CC1.
What is the InChIKey of 8-(2-chlorophenyl)sulfonyl-2-[4-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decane?
The InChIKey is FXHZRDBVYHSVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClF3N2O2S/c22-18-3-1-2-4-19(18)30(28,29)27-13-10-20(11-14-27)9-12-26(15-20)17-7-5-16(6-8-17)21(23,24)25/h1-8H,9-15H2.
What are the key properties of 8-(2-chlorophenyl)sulfonyl-2-[4-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decane?
8-(2-chlorophenyl)sulfonyl-2-[4-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decane has a molecular weight of 458.93 g/mol, XLogP of 5.04, 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-[4-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 123201368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).