(4S)-4-(4-fluorophenyl)-2-(4-methylphenyl)sulfonyl-2-azaspiro[4.5]decan-3-one

C22H24FNO3S — CID 139095530

IUPAC(4S)-4-(4-fluorophenyl)-2-(4-methylphenyl)sulfonyl-2-azaspiro[4.5]decan-3-one
SMILESCc1ccc(S(=O)(=O)N2CC3(CCCCC3)[C@H](c3ccc(F)cc3)C2=O)cc1
InChIInChI=1S/C22H24FNO3S/c1-16-5-11-19(12-6-16)28(26,27)24-15-22(13-3-2-4-14-22)20(21(24)25)17-7-9-18(23)10-8-17/h5-12,20H,2-4,13-15H2,1H3/t20-/m1/s1
InChIKeyWXBFNQCGXNEABE-HXUWFJFHSA-N
MW401.50 g/mol
LogP4.40
Rot. Bonds3

About (4S)-4-(4-fluorophenyl)-2-(4-methylphenyl)sulfonyl-2-azaspiro[4.5]decan-3-one

(4S)-4-(4-fluorophenyl)-2-(4-methylphenyl)sulfonyl-2-azaspiro[4.5]decan-3-one (PubChem CID 139095530) has the molecular formula C22H24FNO3S and a molecular weight of 401.50 g/mol. Its IUPAC name is (4S)-4-(4-fluorophenyl)-2-(4-methylphenyl)sulfonyl-2-azaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name(4S)-4-(4-fluorophenyl)-2-(4-methylphenyl)sulfonyl-2-azaspiro[4.5]decan-3-one
PubChem CID139095530
Molecular FormulaC22H24FNO3S
Molecular Weight401.50 g/mol
Exact Mass401.15
IUPAC Name(4S)-4-(4-fluorophenyl)-2-(4-methylphenyl)sulfonyl-2-azaspiro[4.5]decan-3-one
SMILESCc1ccc(S(=O)(=O)N2CC3(CCCCC3)[C@H](c3ccc(F)cc3)C2=O)cc1
InChIInChI=1S/C22H24FNO3S/c1-16-5-11-19(12-6-16)28(26,27)24-15-22(13-3-2-4-14-22)20(21(24)25)17-7-9-18(23)10-8-17/h5-12,20H,2-4,13-15H2,1H3/t20-/m1/s1
InChIKeyWXBFNQCGXNEABE-HXUWFJFHSA-N
XLogP4.40
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.50
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 3437887
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CID 3930754
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CID 26365005
2-(3-fluoro-4-phenylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 145976539
4-{4-[(Diethylamino)sulfonyl]phenyl}pyrrolidin-2-one
CID 2973461
3-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 3853249
N-benzyl-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 4361852
4-tert-butyl-N-[2-(4-sulfamoylphenyl)ethyl]cyclohexane-1-carboxamide
CID 2161698
2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
CID 4883760
1-[4-(4-Fluorophenyl)sulfonylpiperazin-1-yl]-2-phenylbutan-1-one
CID 16332607
N,N-dimethyl-4-phenyl-1-(phenylsulfonyl)-4-piperidinecarboxamide
CID 2221650
N-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-N-ethyl-5-phenylpentanamide
CID 142727594

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(4-fluorophenyl)-2-(4-methylphenyl)sulfonyl-2-azaspiro[4.5]decan-3-one?
The IUPAC name of (4S)-4-(4-fluorophenyl)-2-(4-methylphenyl)sulfonyl-2-azaspiro[4.5]decan-3-one (CID 139095530) is (4S)-4-(4-fluorophenyl)-2-(4-methylphenyl)sulfonyl-2-azaspiro[4.5]decan-3-one.
What is the SMILES notation for (4S)-4-(4-fluorophenyl)-2-(4-methylphenyl)sulfonyl-2-azaspiro[4.5]decan-3-one?
The canonical SMILES for (4S)-4-(4-fluorophenyl)-2-(4-methylphenyl)sulfonyl-2-azaspiro[4.5]decan-3-one is Cc1ccc(S(=O)(=O)N2CC3(CCCCC3)[C@H](c3ccc(F)cc3)C2=O)cc1.
What is the InChIKey of (4S)-4-(4-fluorophenyl)-2-(4-methylphenyl)sulfonyl-2-azaspiro[4.5]decan-3-one?
The InChIKey is WXBFNQCGXNEABE-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H24FNO3S/c1-16-5-11-19(12-6-16)28(26,27)24-15-22(13-3-2-4-14-22)20(21(24)25)17-7-9-18(23)10-8-17/h5-12,20H,2-4,13-15H2,1H3/t20-/m1/s1.
What are the key properties of (4S)-4-(4-fluorophenyl)-2-(4-methylphenyl)sulfonyl-2-azaspiro[4.5]decan-3-one?
(4S)-4-(4-fluorophenyl)-2-(4-methylphenyl)sulfonyl-2-azaspiro[4.5]decan-3-one has a molecular weight of 401.50 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(4-fluorophenyl)-2-(4-methylphenyl)sulfonyl-2-azaspiro[4.5]decan-3-one is sourced from PubChem (CID 139095530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).