8-(3-fluorophenyl)sulfonyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

C19H20FN3O3S — CID 23853075

IUPAC8-(3-fluorophenyl)sulfonyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C1NCN(c2ccccc2)C12CCN(S(=O)(=O)c1cccc(F)c1)CC2
InChIInChI=1S/C19H20FN3O3S/c20-15-5-4-8-17(13-15)27(25,26)22-11-9-19(10-12-22)18(24)21-14-23(19)16-6-2-1-3-7-16/h1-8,13H,9-12,14H2,(H,21,24)
InChIKeyWORDLMDLYPCHMJ-UHFFFAOYSA-N
MW389.45 g/mol
LogP1.94
Rot. Bonds3

About 8-(3-fluorophenyl)sulfonyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

8-(3-fluorophenyl)sulfonyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 23853075) has the molecular formula C19H20FN3O3S and a molecular weight of 389.45 g/mol. Its IUPAC name is 8-(3-fluorophenyl)sulfonyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name8-(3-fluorophenyl)sulfonyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID23853075
Molecular FormulaC19H20FN3O3S
Molecular Weight389.45 g/mol
Exact Mass389.12
IUPAC Name8-(3-fluorophenyl)sulfonyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C1NCN(c2ccccc2)C12CCN(S(=O)(=O)c1cccc(F)c1)CC2
InChIInChI=1S/C19H20FN3O3S/c20-15-5-4-8-17(13-15)27(25,26)22-11-9-19(10-12-22)18(24)21-14-23(19)16-6-2-1-3-7-16/h1-8,13H,9-12,14H2,(H,21,24)
InChIKeyWORDLMDLYPCHMJ-UHFFFAOYSA-N
XLogP1.94
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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8-[(7-fluoro-4-phenyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
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N'-(4-aminocyclohexyl)-N-(3-fluorophenyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboximidamide
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Frequently Asked Questions

What is the IUPAC name of 8-(3-fluorophenyl)sulfonyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 8-(3-fluorophenyl)sulfonyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (CID 23853075) is 8-(3-fluorophenyl)sulfonyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 8-(3-fluorophenyl)sulfonyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 8-(3-fluorophenyl)sulfonyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is O=C1NCN(c2ccccc2)C12CCN(S(=O)(=O)c1cccc(F)c1)CC2.
What is the InChIKey of 8-(3-fluorophenyl)sulfonyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is WORDLMDLYPCHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3S/c20-15-5-4-8-17(13-15)27(25,26)22-11-9-19(10-12-22)18(24)21-14-23(19)16-6-2-1-3-7-16/h1-8,13H,9-12,14H2,(H,21,24).
What are the key properties of 8-(3-fluorophenyl)sulfonyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
8-(3-fluorophenyl)sulfonyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 389.45 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-fluorophenyl)sulfonyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 23853075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).