N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,6-dichlorobenzenesulfonamide

C12H14Cl2N2O3S — CID 66197296

IUPACN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,6-dichlorobenzenesulfonamide
SMILESNC1C2CCOC2C1NS(=O)(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H14Cl2N2O3S/c13-7-2-1-3-8(14)12(7)20(17,18)16-10-9(15)6-4-5-19-11(6)10/h1-3,6,9-11,16H,4-5,15H2
InChIKeyQDJSYGNGXAVZTM-UHFFFAOYSA-N
MW337.23 g/mol
LogP1.39
Rot. Bonds3

About N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,6-dichlorobenzenesulfonamide

N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,6-dichlorobenzenesulfonamide (PubChem CID 66197296) has the molecular formula C12H14Cl2N2O3S and a molecular weight of 337.23 g/mol. Its IUPAC name is N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,6-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,6-dichlorobenzenesulfonamide
PubChem CID66197296
Molecular FormulaC12H14Cl2N2O3S
Molecular Weight337.23 g/mol
Exact Mass336.01
IUPAC NameN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,6-dichlorobenzenesulfonamide
SMILESNC1C2CCOC2C1NS(=O)(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H14Cl2N2O3S/c13-7-2-1-3-8(14)12(7)20(17,18)16-10-9(15)6-4-5-19-11(6)10/h1-3,6,9-11,16H,4-5,15H2
InChIKeyQDJSYGNGXAVZTM-UHFFFAOYSA-N
XLogP1.39
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.23
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,6-dichlorobenzenesulfonamide 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 N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,6-dichlorobenzenesulfonamide?
The IUPAC name of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,6-dichlorobenzenesulfonamide (CID 66197296) is N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,6-dichlorobenzenesulfonamide.
What is the SMILES notation for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,6-dichlorobenzenesulfonamide?
The canonical SMILES for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,6-dichlorobenzenesulfonamide is NC1C2CCOC2C1NS(=O)(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,6-dichlorobenzenesulfonamide?
The InChIKey is QDJSYGNGXAVZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O3S/c13-7-2-1-3-8(14)12(7)20(17,18)16-10-9(15)6-4-5-19-11(6)10/h1-3,6,9-11,16H,4-5,15H2.
What are the key properties of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,6-dichlorobenzenesulfonamide?
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2,6-dichlorobenzenesulfonamide has a molecular weight of 337.23 g/mol, XLogP of 1.39, 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)-2,6-dichlorobenzenesulfonamide is sourced from PubChem (CID 66197296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).