3-(4-fluorophenyl)sulfonyl-6-methyl-3-azabicyclo[3.1.0]hexane-2-carboxamide

C13H15FN2O3S — CID 123492613

IUPAC3-(4-fluorophenyl)sulfonyl-6-methyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
SMILESCC1C2CN(S(=O)(=O)c3ccc(F)cc3)C(C(N)=O)C12
InChIInChI=1S/C13H15FN2O3S/c1-7-10-6-16(12(11(7)10)13(15)17)20(18,19)9-4-2-8(14)3-5-9/h2-5,7,10-12H,6H2,1H3,(H2,15,17)
InChIKeyMXJOLFKENJVDAG-UHFFFAOYSA-N
MW298.34 g/mol
LogP0.57
Rot. Bonds3

About 3-(4-fluorophenyl)sulfonyl-6-methyl-3-azabicyclo[3.1.0]hexane-2-carboxamide

3-(4-fluorophenyl)sulfonyl-6-methyl-3-azabicyclo[3.1.0]hexane-2-carboxamide (PubChem CID 123492613) has the molecular formula C13H15FN2O3S and a molecular weight of 298.34 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfonyl-6-methyl-3-azabicyclo[3.1.0]hexane-2-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfonyl-6-methyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
PubChem CID123492613
Molecular FormulaC13H15FN2O3S
Molecular Weight298.34 g/mol
Exact Mass298.08
IUPAC Name3-(4-fluorophenyl)sulfonyl-6-methyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
SMILESCC1C2CN(S(=O)(=O)c3ccc(F)cc3)C(C(N)=O)C12
InChIInChI=1S/C13H15FN2O3S/c1-7-10-6-16(12(11(7)10)13(15)17)20(18,19)9-4-2-8(14)3-5-9/h2-5,7,10-12H,6H2,1H3,(H2,15,17)
InChIKeyMXJOLFKENJVDAG-UHFFFAOYSA-N
XLogP0.57
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Fluorobenzenesulfonyl)-N-(3-methylbutyl)piperidine-2-carboxamide
CID 6619133
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CID 6619154
1-[(4-fluorophenyl)sulfonyl]-N-[(2S)-3-methyl-1-oxo-1-(pyrrolidin-1-yl)butan-2-yl]piperidine-4-carboxamide
CID 17585216
1-[4-Fluoro-1-(4-fluoro-3-methylbenzenesulfonyl)pyrrolidine-2-carbonyl]piperidine
CID 110876152
5-(4-fluorophenyl)sulfonyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,2-c]pyridin-2-one
CID 54587011
1-(4-Fluoro-benzenesulfonyl)-piperidine-3-carboxylic acid amide
CID 581405
1-[(4-Fluorophenyl)sulfonyl]prolinamide
CID 2947537
(7R,8aR)-2-(4-fluorophenyl)sulfonyl-7-methyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 10495308
(7S,8aR)-2-(4-fluorophenyl)sulfonyl-7-methyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 10852583
4-(1-((4-Fluorophenyl)sulfonyl)pyrrolidine-2-carbonyl)-3,3-dimethylpiperazin-2-one
CID 44044726
(3aS,7aS)-5-(4-fluorophenyl)sulfonyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,2-c]pyridin-2-one
CID 52936742
(3aR,7aS)-5-(4-fluorophenyl)sulfonyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,2-c]pyridin-2-one
CID 52936856

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfonyl-6-methyl-3-azabicyclo[3.1.0]hexane-2-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)sulfonyl-6-methyl-3-azabicyclo[3.1.0]hexane-2-carboxamide (CID 123492613) is 3-(4-fluorophenyl)sulfonyl-6-methyl-3-azabicyclo[3.1.0]hexane-2-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)sulfonyl-6-methyl-3-azabicyclo[3.1.0]hexane-2-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)sulfonyl-6-methyl-3-azabicyclo[3.1.0]hexane-2-carboxamide is CC1C2CN(S(=O)(=O)c3ccc(F)cc3)C(C(N)=O)C12.
What is the InChIKey of 3-(4-fluorophenyl)sulfonyl-6-methyl-3-azabicyclo[3.1.0]hexane-2-carboxamide?
The InChIKey is MXJOLFKENJVDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3S/c1-7-10-6-16(12(11(7)10)13(15)17)20(18,19)9-4-2-8(14)3-5-9/h2-5,7,10-12H,6H2,1H3,(H2,15,17).
What are the key properties of 3-(4-fluorophenyl)sulfonyl-6-methyl-3-azabicyclo[3.1.0]hexane-2-carboxamide?
3-(4-fluorophenyl)sulfonyl-6-methyl-3-azabicyclo[3.1.0]hexane-2-carboxamide has a molecular weight of 298.34 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfonyl-6-methyl-3-azabicyclo[3.1.0]hexane-2-carboxamide is sourced from PubChem (CID 123492613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).