(1R,3R)-2-(4-fluorophenyl)sulfonyl-N-hydroxy-2-azabicyclo[2.2.1]heptane-3-carboxamide

C13H15FN2O4S — CID 58801690

IUPAC(1R,3R)-2-(4-fluorophenyl)sulfonyl-N-hydroxy-2-azabicyclo[2.2.1]heptane-3-carboxamide
SMILESO=C(NO)[C@H]1C2CC[C@H](C2)N1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C13H15FN2O4S/c14-9-2-5-11(6-3-9)21(19,20)16-10-4-1-8(7-10)12(16)13(17)15-18/h2-3,5-6,8,10,12,18H,1,4,7H2,(H,15,17)/t8?,10-,12-/m1/s1
InChIKeyYHJGLMGGYKQXHE-JAKHEFHJSA-N
MW314.34 g/mol
LogP0.87
Rot. Bonds3

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

(1R,3R)-2-(4-fluorophenyl)sulfonyl-N-hydroxy-2-azabicyclo[2.2.1]heptane-3-carboxamide (PubChem CID 58801690) has the molecular formula C13H15FN2O4S and a molecular weight of 314.34 g/mol. Its IUPAC name is (1R,3R)-2-(4-fluorophenyl)sulfonyl-N-hydroxy-2-azabicyclo[2.2.1]heptane-3-carboxamide.

Molecular Properties

Compound Name(1R,3R)-2-(4-fluorophenyl)sulfonyl-N-hydroxy-2-azabicyclo[2.2.1]heptane-3-carboxamide
PubChem CID58801690
Molecular FormulaC13H15FN2O4S
Molecular Weight314.34 g/mol
Exact Mass314.07
IUPAC Name(1R,3R)-2-(4-fluorophenyl)sulfonyl-N-hydroxy-2-azabicyclo[2.2.1]heptane-3-carboxamide
SMILESO=C(NO)[C@H]1C2CC[C@H](C2)N1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C13H15FN2O4S/c14-9-2-5-11(6-3-9)21(19,20)16-10-4-1-8(7-10)12(16)13(17)15-18/h2-3,5-6,8,10,12,18H,1,4,7H2,(H,15,17)/t8?,10-,12-/m1/s1
InChIKeyYHJGLMGGYKQXHE-JAKHEFHJSA-N
XLogP0.87
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-N-hydroxybutanamide
CID 57392664
(2S)-1-[(2S)-2-cyclohexyl-2-[(2,4-difluorophenyl)sulfonylamino]acetyl]-N-cyclopentylpyrrolidine-2-carboxamide
CID 53361876
(1S,3R,4R)-2-(4-fluorophenyl)sulfonyl-N-hydroxy-2-azabicyclo[2.2.1]heptane-3-carboxamide
CID 12146448
(2R,3aR,6aR)-N-hydroxy-1-[4-(trifluoromethyl)phenyl]sulfonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide
CID 58751630
(2R)-3-(3-fluorophenyl)sulfonyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 71193251
(1S,3R)-2-(4-fluorophenyl)sulfonyl-N-hydroxy-2-azabicyclo[2.2.1]heptane-3-carboxamide
CID 89372881
3-(4-Fluorophenyl)sulfonyl-6-methyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 123492613
(3S)-2-(4-fluorophenyl)sulfonyl-2-azabicyclo[2.1.1]hexane-3-carboxamide
CID 134192275
1-(4-Fluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptane-3-carboxamide
CID 141441772
2-(4-Fluorophenyl)sulfonyl-2-azabicyclo[2.1.1]hexane-3-carboxamide
CID 153993175
3-(4-Fluorophenyl)sulfonyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 153996519
1-(4-fluorophenyl)sulfonyl-N-hydroxypiperidine-2-carboxamide
CID 172341434

Frequently Asked Questions

What is the IUPAC name of (1R,3R)-2-(4-fluorophenyl)sulfonyl-N-hydroxy-2-azabicyclo[2.2.1]heptane-3-carboxamide?
The IUPAC name of (1R,3R)-2-(4-fluorophenyl)sulfonyl-N-hydroxy-2-azabicyclo[2.2.1]heptane-3-carboxamide (CID 58801690) is (1R,3R)-2-(4-fluorophenyl)sulfonyl-N-hydroxy-2-azabicyclo[2.2.1]heptane-3-carboxamide.
What is the SMILES notation for (1R,3R)-2-(4-fluorophenyl)sulfonyl-N-hydroxy-2-azabicyclo[2.2.1]heptane-3-carboxamide?
The canonical SMILES for (1R,3R)-2-(4-fluorophenyl)sulfonyl-N-hydroxy-2-azabicyclo[2.2.1]heptane-3-carboxamide is O=C(NO)[C@H]1C2CC[C@H](C2)N1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of (1R,3R)-2-(4-fluorophenyl)sulfonyl-N-hydroxy-2-azabicyclo[2.2.1]heptane-3-carboxamide?
The InChIKey is YHJGLMGGYKQXHE-JAKHEFHJSA-N. The full InChI is InChI=1S/C13H15FN2O4S/c14-9-2-5-11(6-3-9)21(19,20)16-10-4-1-8(7-10)12(16)13(17)15-18/h2-3,5-6,8,10,12,18H,1,4,7H2,(H,15,17)/t8?,10-,12-/m1/s1.
What are the key properties of (1R,3R)-2-(4-fluorophenyl)sulfonyl-N-hydroxy-2-azabicyclo[2.2.1]heptane-3-carboxamide?
(1R,3R)-2-(4-fluorophenyl)sulfonyl-N-hydroxy-2-azabicyclo[2.2.1]heptane-3-carboxamide has a molecular weight of 314.34 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R)-2-(4-fluorophenyl)sulfonyl-N-hydroxy-2-azabicyclo[2.2.1]heptane-3-carboxamide is sourced from PubChem (CID 58801690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).