(2R)-3-(3-fluorophenyl)sulfonyl-3-azabicyclo[3.1.0]hexane-2-carboxamide

C12H13FN2O3S — CID 71193251

IUPAC(2R)-3-(3-fluorophenyl)sulfonyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
SMILESNC(=O)[C@H]1C2CC2CN1S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C12H13FN2O3S/c13-8-2-1-3-9(5-8)19(17,18)15-6-7-4-10(7)11(15)12(14)16/h1-3,5,7,10-11H,4,6H2,(H2,14,16)/t7?,10?,11-/m1/s1
InChIKeyDZCYMFYIBCEFCL-BTBRBFGLSA-N
MW284.31 g/mol
LogP0.32
Rot. Bonds3

About (2R)-3-(3-fluorophenyl)sulfonyl-3-azabicyclo[3.1.0]hexane-2-carboxamide

(2R)-3-(3-fluorophenyl)sulfonyl-3-azabicyclo[3.1.0]hexane-2-carboxamide (PubChem CID 71193251) has the molecular formula C12H13FN2O3S and a molecular weight of 284.31 g/mol. Its IUPAC name is (2R)-3-(3-fluorophenyl)sulfonyl-3-azabicyclo[3.1.0]hexane-2-carboxamide.

Molecular Properties

Compound Name(2R)-3-(3-fluorophenyl)sulfonyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
PubChem CID71193251
Molecular FormulaC12H13FN2O3S
Molecular Weight284.31 g/mol
Exact Mass284.06
IUPAC Name(2R)-3-(3-fluorophenyl)sulfonyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
SMILESNC(=O)[C@H]1C2CC2CN1S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C12H13FN2O3S/c13-8-2-1-3-9(5-8)19(17,18)15-6-7-4-10(7)11(15)12(14)16/h1-3,5,7,10-11H,4,6H2,(H2,14,16)/t7?,10?,11-/m1/s1
InChIKeyDZCYMFYIBCEFCL-BTBRBFGLSA-N
XLogP0.32
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-3-(3-fluorophenyl)sulfonyl-3-azabicyclo[3.1.0]hexane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(3-fluorophenyl)sulfonyl-3-azabicyclo[3.1.0]hexane-2-carboxamide?
The IUPAC name of (2R)-3-(3-fluorophenyl)sulfonyl-3-azabicyclo[3.1.0]hexane-2-carboxamide (CID 71193251) is (2R)-3-(3-fluorophenyl)sulfonyl-3-azabicyclo[3.1.0]hexane-2-carboxamide.
What is the SMILES notation for (2R)-3-(3-fluorophenyl)sulfonyl-3-azabicyclo[3.1.0]hexane-2-carboxamide?
The canonical SMILES for (2R)-3-(3-fluorophenyl)sulfonyl-3-azabicyclo[3.1.0]hexane-2-carboxamide is NC(=O)[C@H]1C2CC2CN1S(=O)(=O)c1cccc(F)c1.
What is the InChIKey of (2R)-3-(3-fluorophenyl)sulfonyl-3-azabicyclo[3.1.0]hexane-2-carboxamide?
The InChIKey is DZCYMFYIBCEFCL-BTBRBFGLSA-N. The full InChI is InChI=1S/C12H13FN2O3S/c13-8-2-1-3-9(5-8)19(17,18)15-6-7-4-10(7)11(15)12(14)16/h1-3,5,7,10-11H,4,6H2,(H2,14,16)/t7?,10?,11-/m1/s1.
What are the key properties of (2R)-3-(3-fluorophenyl)sulfonyl-3-azabicyclo[3.1.0]hexane-2-carboxamide?
(2R)-3-(3-fluorophenyl)sulfonyl-3-azabicyclo[3.1.0]hexane-2-carboxamide has a molecular weight of 284.31 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(3-fluorophenyl)sulfonyl-3-azabicyclo[3.1.0]hexane-2-carboxamide is sourced from PubChem (CID 71193251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).