9-(2-chlorophenyl)sulfonyl-2-[4-(trifluoromethyl)phenyl]-2,9-diazaspiro[5.5]undecane

C22H24ClF3N2O2S — CID 66787483

IUPAC9-(2-chlorophenyl)sulfonyl-2-[4-(trifluoromethyl)phenyl]-2,9-diazaspiro[5.5]undecane
SMILESO=S(=O)(c1ccccc1Cl)N1CCC2(CCCN(c3ccc(C(F)(F)F)cc3)C2)CC1
InChIInChI=1S/C22H24ClF3N2O2S/c23-19-4-1-2-5-20(19)31(29,30)28-14-11-21(12-15-28)10-3-13-27(16-21)18-8-6-17(7-9-18)22(24,25)26/h1-2,4-9H,3,10-16H2
InChIKeyWDQQBZRFVZRINS-UHFFFAOYSA-N
MW472.96 g/mol
LogP5.43
Rot. Bonds3

About 9-(2-chlorophenyl)sulfonyl-2-[4-(trifluoromethyl)phenyl]-2,9-diazaspiro[5.5]undecane

9-(2-chlorophenyl)sulfonyl-2-[4-(trifluoromethyl)phenyl]-2,9-diazaspiro[5.5]undecane (PubChem CID 66787483) has the molecular formula C22H24ClF3N2O2S and a molecular weight of 472.96 g/mol. Its IUPAC name is 9-(2-chlorophenyl)sulfonyl-2-[4-(trifluoromethyl)phenyl]-2,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-(2-chlorophenyl)sulfonyl-2-[4-(trifluoromethyl)phenyl]-2,9-diazaspiro[5.5]undecane
PubChem CID66787483
Molecular FormulaC22H24ClF3N2O2S
Molecular Weight472.96 g/mol
Exact Mass472.12
IUPAC Name9-(2-chlorophenyl)sulfonyl-2-[4-(trifluoromethyl)phenyl]-2,9-diazaspiro[5.5]undecane
SMILESO=S(=O)(c1ccccc1Cl)N1CCC2(CCCN(c3ccc(C(F)(F)F)cc3)C2)CC1
InChIInChI=1S/C22H24ClF3N2O2S/c23-19-4-1-2-5-20(19)31(29,30)28-14-11-21(12-15-28)10-3-13-27(16-21)18-8-6-17(7-9-18)22(24,25)26/h1-2,4-9H,3,10-16H2
InChIKeyWDQQBZRFVZRINS-UHFFFAOYSA-N
XLogP5.43
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.96
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-(2-chlorophenyl)sulfonyl-2-[4-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decane
CID 123201368
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
9-(2-chlorophenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
CID 3766966
2-(4-cyclopropylphenyl)-8-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-2,8-diazaspiro[4.5]decane
CID 123565629
9-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
CID 3516792
8-(2-chlorophenyl)sulfonyl-2-[2-(4-fluorophenyl)ethyl]-2,8-diazaspiro[4.5]decane
CID 66786899
3-(2-fluorophenyl)sulfonyl-3-azaspiro[5.5]undecane
CID 62866197
4-(2-chlorophenyl)sulfonylmorpholine
CID 7938037
[(3S)-1-(2-chlorophenyl)sulfonyl-3-ethylpiperidin-3-yl]methanol
CID 97133385
8-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decan-8-ol
CID 66577720
8-(2-chlorophenyl)sulfonyl-2-phenyl-2,8-diazaspiro[4.5]decan-1-one
CID 123139867

Frequently Asked Questions

What is the IUPAC name of 9-(2-chlorophenyl)sulfonyl-2-[4-(trifluoromethyl)phenyl]-2,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-(2-chlorophenyl)sulfonyl-2-[4-(trifluoromethyl)phenyl]-2,9-diazaspiro[5.5]undecane (CID 66787483) is 9-(2-chlorophenyl)sulfonyl-2-[4-(trifluoromethyl)phenyl]-2,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-(2-chlorophenyl)sulfonyl-2-[4-(trifluoromethyl)phenyl]-2,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-(2-chlorophenyl)sulfonyl-2-[4-(trifluoromethyl)phenyl]-2,9-diazaspiro[5.5]undecane is O=S(=O)(c1ccccc1Cl)N1CCC2(CCCN(c3ccc(C(F)(F)F)cc3)C2)CC1.
What is the InChIKey of 9-(2-chlorophenyl)sulfonyl-2-[4-(trifluoromethyl)phenyl]-2,9-diazaspiro[5.5]undecane?
The InChIKey is WDQQBZRFVZRINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClF3N2O2S/c23-19-4-1-2-5-20(19)31(29,30)28-14-11-21(12-15-28)10-3-13-27(16-21)18-8-6-17(7-9-18)22(24,25)26/h1-2,4-9H,3,10-16H2.
What are the key properties of 9-(2-chlorophenyl)sulfonyl-2-[4-(trifluoromethyl)phenyl]-2,9-diazaspiro[5.5]undecane?
9-(2-chlorophenyl)sulfonyl-2-[4-(trifluoromethyl)phenyl]-2,9-diazaspiro[5.5]undecane has a molecular weight of 472.96 g/mol, XLogP of 5.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-chlorophenyl)sulfonyl-2-[4-(trifluoromethyl)phenyl]-2,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 66787483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).