N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-chloro-4-fluorobenzenesulfonamide

C12H14ClFN2O3S — CID 66197499

IUPACN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-chloro-4-fluorobenzenesulfonamide
SMILESNC1C2CCOC2C1NS(=O)(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C12H14ClFN2O3S/c13-8-5-6(14)1-2-9(8)20(17,18)16-11-10(15)7-3-4-19-12(7)11/h1-2,5,7,10-12,16H,3-4,15H2
InChIKeyOEMFIZIVTWADLL-UHFFFAOYSA-N
MW320.77 g/mol
LogP0.87
Rot. Bonds3

About N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-chloro-4-fluorobenzenesulfonamide

N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-chloro-4-fluorobenzenesulfonamide (PubChem CID 66197499) has the molecular formula C12H14ClFN2O3S and a molecular weight of 320.77 g/mol. Its IUPAC name is N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-chloro-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-chloro-4-fluorobenzenesulfonamide
PubChem CID66197499
Molecular FormulaC12H14ClFN2O3S
Molecular Weight320.77 g/mol
Exact Mass320.04
IUPAC NameN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-chloro-4-fluorobenzenesulfonamide
SMILESNC1C2CCOC2C1NS(=O)(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C12H14ClFN2O3S/c13-8-5-6(14)1-2-9(8)20(17,18)16-11-10(15)7-3-4-19-12(7)11/h1-2,5,7,10-12,16H,3-4,15H2
InChIKeyOEMFIZIVTWADLL-UHFFFAOYSA-N
XLogP0.87
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.77
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-chloro-4-fluorobenzenesulfonamide?
The IUPAC name of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-chloro-4-fluorobenzenesulfonamide (CID 66197499) is N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-chloro-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-chloro-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-chloro-4-fluorobenzenesulfonamide is NC1C2CCOC2C1NS(=O)(=O)c1ccc(F)cc1Cl.
What is the InChIKey of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-chloro-4-fluorobenzenesulfonamide?
The InChIKey is OEMFIZIVTWADLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN2O3S/c13-8-5-6(14)1-2-9(8)20(17,18)16-11-10(15)7-3-4-19-12(7)11/h1-2,5,7,10-12,16H,3-4,15H2.
What are the key properties of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-chloro-4-fluorobenzenesulfonamide?
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-chloro-4-fluorobenzenesulfonamide has a molecular weight of 320.77 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 N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-chloro-4-fluorobenzenesulfonamide is sourced from PubChem (CID 66197499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).