1-(4-fluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptane-3-carboxamide

C13H15FN2O3S — CID 141441772

IUPAC1-(4-fluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptane-3-carboxamide
SMILESNC(=O)C1NC2(S(=O)(=O)c3ccc(F)cc3)CCC1C2
InChIInChI=1S/C13H15FN2O3S/c14-9-1-3-10(4-2-9)20(18,19)13-6-5-8(7-13)11(16-13)12(15)17/h1-4,8,11,16H,5-7H2,(H2,15,17)
InChIKeyBUSOMOSUFZLZEV-UHFFFAOYSA-N
MW298.34 g/mol
LogP0.55
Rot. Bonds3

About 1-(4-fluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptane-3-carboxamide

1-(4-fluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptane-3-carboxamide (PubChem CID 141441772) has the molecular formula C13H15FN2O3S and a molecular weight of 298.34 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptane-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptane-3-carboxamide
PubChem CID141441772
Molecular FormulaC13H15FN2O3S
Molecular Weight298.34 g/mol
Exact Mass298.08
IUPAC Name1-(4-fluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptane-3-carboxamide
SMILESNC(=O)C1NC2(S(=O)(=O)c3ccc(F)cc3)CCC1C2
InChIInChI=1S/C13H15FN2O3S/c14-9-1-3-10(4-2-9)20(18,19)13-6-5-8(7-13)11(16-13)12(15)17/h1-4,8,11,16H,5-7H2,(H2,15,17)
InChIKeyBUSOMOSUFZLZEV-UHFFFAOYSA-N
XLogP0.55
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-{2-[(4-fluorophenyl)sulfonyl]ethyl}-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56881390
(1S,3R,4R)-2-(4-fluorophenyl)sulfonyl-N-hydroxy-2-azabicyclo[2.2.1]heptane-3-carboxamide
CID 12146448
(1R,3R)-2-(4-fluorophenyl)sulfonyl-N-hydroxy-2-azabicyclo[2.2.1]heptane-3-carboxamide
CID 58801690
N-[(3R)-3-(4-fluorophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide
CID 68873833
N-[(3S)-3-(4-fluorophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide
CID 68873888
(1S,3R)-2-(4-fluorophenyl)sulfonyl-N-hydroxy-2-azabicyclo[2.2.1]heptane-3-carboxamide
CID 89372881
1-(4-Fluorophenyl)sulfonyl-2-azabicyclo[2.1.1]hexane-3-carboxamide
CID 145446178
4-(4-Fluorophenyl)sulfonyl-2-azabicyclo[2.1.1]hexane-3-carboxamide
CID 145446179
(3S)-N-[2-(4-fluorophenyl)sulfonylethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95706791
(3R)-N-[2-(4-fluorophenyl)sulfonylethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95706792
2-(benzenesulfonyl)-N-cyclopentyl-2-azabicyclo[2.2.1]heptane-3-carboxamide
CID 86809245
(1S,3R,4S)-2-(benzenesulfonyl)-N-cyclopentyl-2-azabicyclo[2.2.1]heptane-3-carboxamide
CID 98141802

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptane-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptane-3-carboxamide (CID 141441772) is 1-(4-fluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptane-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptane-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptane-3-carboxamide is NC(=O)C1NC2(S(=O)(=O)c3ccc(F)cc3)CCC1C2.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptane-3-carboxamide?
The InChIKey is BUSOMOSUFZLZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3S/c14-9-1-3-10(4-2-9)20(18,19)13-6-5-8(7-13)11(16-13)12(15)17/h1-4,8,11,16H,5-7H2,(H2,15,17).
What are the key properties of 1-(4-fluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptane-3-carboxamide?
1-(4-fluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptane-3-carboxamide has a molecular weight of 298.34 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptane-3-carboxamide is sourced from PubChem (CID 141441772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).