N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-bromo-4-fluorobenzenesulfonamide

C11H12BrFN2O2S — CID 60822814

IUPACN-(3-azabicyclo[3.1.0]hexan-6-yl)-2-bromo-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NC1C2CNCC21)c1ccc(F)cc1Br
InChIInChI=1S/C11H12BrFN2O2S/c12-9-3-6(13)1-2-10(9)18(16,17)15-11-7-4-14-5-8(7)11/h1-3,7-8,11,14-15H,4-5H2
InChIKeyXPHFIQRXYAXTGS-UHFFFAOYSA-N
MW335.20 g/mol
LogP1.08
Rot. Bonds3

About N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-bromo-4-fluorobenzenesulfonamide

N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-bromo-4-fluorobenzenesulfonamide (PubChem CID 60822814) has the molecular formula C11H12BrFN2O2S and a molecular weight of 335.20 g/mol. Its IUPAC name is N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-bromo-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-azabicyclo[3.1.0]hexan-6-yl)-2-bromo-4-fluorobenzenesulfonamide
PubChem CID60822814
Molecular FormulaC11H12BrFN2O2S
Molecular Weight335.20 g/mol
Exact Mass333.98
IUPAC NameN-(3-azabicyclo[3.1.0]hexan-6-yl)-2-bromo-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NC1C2CNCC21)c1ccc(F)cc1Br
InChIInChI=1S/C11H12BrFN2O2S/c12-9-3-6(13)1-2-10(9)18(16,17)15-11-7-4-14-5-8(7)11/h1-3,7-8,11,14-15H,4-5H2
InChIKeyXPHFIQRXYAXTGS-UHFFFAOYSA-N
XLogP1.08
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-bromo-4-fluorobenzenesulfonamide?
The IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-bromo-4-fluorobenzenesulfonamide (CID 60822814) is N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-bromo-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-bromo-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-bromo-4-fluorobenzenesulfonamide is O=S(=O)(NC1C2CNCC21)c1ccc(F)cc1Br.
What is the InChIKey of N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-bromo-4-fluorobenzenesulfonamide?
The InChIKey is XPHFIQRXYAXTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFN2O2S/c12-9-3-6(13)1-2-10(9)18(16,17)15-11-7-4-14-5-8(7)11/h1-3,7-8,11,14-15H,4-5H2.
What are the key properties of N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-bromo-4-fluorobenzenesulfonamide?
N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-bromo-4-fluorobenzenesulfonamide has a molecular weight of 335.20 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-bromo-4-fluorobenzenesulfonamide is sourced from PubChem (CID 60822814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).