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

C11H12ClFN2O2S — CID 43597421

IUPACN-(3-azabicyclo[3.1.0]hexan-6-yl)-3-chloro-2-fluorobenzenesulfonamide
SMILESO=S(=O)(NC1C2CNCC21)c1cccc(Cl)c1F
InChIInChI=1S/C11H12ClFN2O2S/c12-8-2-1-3-9(10(8)13)18(16,17)15-11-6-4-14-5-7(6)11/h1-3,6-7,11,14-15H,4-5H2
InChIKeyIKSHNCNWWZWFNA-UHFFFAOYSA-N
MW290.75 g/mol
LogP0.98
Rot. Bonds3

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

N-(3-azabicyclo[3.1.0]hexan-6-yl)-3-chloro-2-fluorobenzenesulfonamide (PubChem CID 43597421) has the molecular formula C11H12ClFN2O2S and a molecular weight of 290.75 g/mol. Its IUPAC name is N-(3-azabicyclo[3.1.0]hexan-6-yl)-3-chloro-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-azabicyclo[3.1.0]hexan-6-yl)-3-chloro-2-fluorobenzenesulfonamide
PubChem CID43597421
Molecular FormulaC11H12ClFN2O2S
Molecular Weight290.75 g/mol
Exact Mass290.03
IUPAC NameN-(3-azabicyclo[3.1.0]hexan-6-yl)-3-chloro-2-fluorobenzenesulfonamide
SMILESO=S(=O)(NC1C2CNCC21)c1cccc(Cl)c1F
InChIInChI=1S/C11H12ClFN2O2S/c12-8-2-1-3-9(10(8)13)18(16,17)15-11-6-4-14-5-7(6)11/h1-3,6-7,11,14-15H,4-5H2
InChIKeyIKSHNCNWWZWFNA-UHFFFAOYSA-N
XLogP0.98
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 50.98
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)-3-chloro-2-fluorobenzenesulfonamide?
The IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)-3-chloro-2-fluorobenzenesulfonamide (CID 43597421) is N-(3-azabicyclo[3.1.0]hexan-6-yl)-3-chloro-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-(3-azabicyclo[3.1.0]hexan-6-yl)-3-chloro-2-fluorobenzenesulfonamide?
The canonical SMILES for N-(3-azabicyclo[3.1.0]hexan-6-yl)-3-chloro-2-fluorobenzenesulfonamide is O=S(=O)(NC1C2CNCC21)c1cccc(Cl)c1F.
What is the InChIKey of N-(3-azabicyclo[3.1.0]hexan-6-yl)-3-chloro-2-fluorobenzenesulfonamide?
The InChIKey is IKSHNCNWWZWFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFN2O2S/c12-8-2-1-3-9(10(8)13)18(16,17)15-11-6-4-14-5-7(6)11/h1-3,6-7,11,14-15H,4-5H2.
What are the key properties of N-(3-azabicyclo[3.1.0]hexan-6-yl)-3-chloro-2-fluorobenzenesulfonamide?
N-(3-azabicyclo[3.1.0]hexan-6-yl)-3-chloro-2-fluorobenzenesulfonamide has a molecular weight of 290.75 g/mol, XLogP of 0.98, 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)-3-chloro-2-fluorobenzenesulfonamide is sourced from PubChem (CID 43597421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).