1-[4-(trifluoromethyl)phenyl]sulfonyl-1-azaspiro[4.4]nonan-9-one

C15H16F3NO3S — CID 135067095

IUPAC1-[4-(trifluoromethyl)phenyl]sulfonyl-1-azaspiro[4.4]nonan-9-one
SMILESO=C1CCCC12CCCN2S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H16F3NO3S/c16-15(17,18)11-4-6-12(7-5-11)23(21,22)19-10-2-9-14(19)8-1-3-13(14)20/h4-7H,1-3,8-10H2
InChIKeyILRNVFGZXKMRNC-UHFFFAOYSA-N
MW347.36 g/mol
LogP2.98
Rot. Bonds2

About 1-[4-(trifluoromethyl)phenyl]sulfonyl-1-azaspiro[4.4]nonan-9-one

1-[4-(trifluoromethyl)phenyl]sulfonyl-1-azaspiro[4.4]nonan-9-one (PubChem CID 135067095) has the molecular formula C15H16F3NO3S and a molecular weight of 347.36 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)phenyl]sulfonyl-1-azaspiro[4.4]nonan-9-one.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)phenyl]sulfonyl-1-azaspiro[4.4]nonan-9-one
PubChem CID135067095
Molecular FormulaC15H16F3NO3S
Molecular Weight347.36 g/mol
Exact Mass347.08
IUPAC Name1-[4-(trifluoromethyl)phenyl]sulfonyl-1-azaspiro[4.4]nonan-9-one
SMILESO=C1CCCC12CCCN2S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H16F3NO3S/c16-15(17,18)11-4-6-12(7-5-11)23(21,22)19-10-2-9-14(19)8-1-3-13(14)20/h4-7H,1-3,8-10H2
InChIKeyILRNVFGZXKMRNC-UHFFFAOYSA-N
XLogP2.98
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.36
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3aS)-2-(4-methylphenyl)sulfonyl-3-propyl-3a-(trifluoromethyl)-3,4-dihydro-1H-cyclopenta[c]pyrrol-5-one
CID 139250890
1-(4-Fluorophenyl)sulfonyl-1-azaspiro[4.4]nonan-9-one
CID 139256700
(5S)-1-(4-methylphenyl)sulfonyl-1-azaspiro[4.4]nonan-9-one
CID 101583393
(2S)-2,5-Dicyclopropyl-1-(4-(trifluoromethyl)phenylsulfonyl)pyrrolidin-3-one
CID 57659766
(R)-5-ethyl-1-(4-(trifluoromethyl)phenylsulfonyl)pyrrolidin-3-one
CID 57659773
(S)-5-cyclopropyl-1-(4-(trifluoromethyl)phenylsulfonyl)pyrrolidin-3-one
CID 57659778
(2R,3aR,6aR)-1-[4-(trifluoromethyl)phenyl]sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carbaldehyde
CID 59980804
5-Ethyl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-one
CID 67314574
5-Cyclopropyl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-one
CID 67314746
2,5-Dicyclopropyl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-one
CID 68301595
1-[4-(Trifluoromethyl)phenyl]sulfonylpyrrolidin-3-one
CID 68722625
(5R)-5-methyl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-one
CID 70276102

Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethyl)phenyl]sulfonyl-1-azaspiro[4.4]nonan-9-one?
The IUPAC name of 1-[4-(trifluoromethyl)phenyl]sulfonyl-1-azaspiro[4.4]nonan-9-one (CID 135067095) is 1-[4-(trifluoromethyl)phenyl]sulfonyl-1-azaspiro[4.4]nonan-9-one.
What is the SMILES notation for 1-[4-(trifluoromethyl)phenyl]sulfonyl-1-azaspiro[4.4]nonan-9-one?
The canonical SMILES for 1-[4-(trifluoromethyl)phenyl]sulfonyl-1-azaspiro[4.4]nonan-9-one is O=C1CCCC12CCCN2S(=O)(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[4-(trifluoromethyl)phenyl]sulfonyl-1-azaspiro[4.4]nonan-9-one?
The InChIKey is ILRNVFGZXKMRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NO3S/c16-15(17,18)11-4-6-12(7-5-11)23(21,22)19-10-2-9-14(19)8-1-3-13(14)20/h4-7H,1-3,8-10H2.
What are the key properties of 1-[4-(trifluoromethyl)phenyl]sulfonyl-1-azaspiro[4.4]nonan-9-one?
1-[4-(trifluoromethyl)phenyl]sulfonyl-1-azaspiro[4.4]nonan-9-one has a molecular weight of 347.36 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)phenyl]sulfonyl-1-azaspiro[4.4]nonan-9-one is sourced from PubChem (CID 135067095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).