2-(azetidin-3-yloxy)benzenesulfonamide;hydrochloride

C9H13ClN2O3S — CID 146155932

IUPAC2-(azetidin-3-yloxy)benzenesulfonamide;hydrochloride
SMILESCl.NS(=O)(=O)c1ccccc1OC1CNC1
InChIInChI=1S/C9H12N2O3S.ClH/c10-15(12,13)9-4-2-1-3-8(9)14-7-5-11-6-7;/h1-4,7,11H,5-6H2,(H2,10,12,13);1H
InChIKeyJZLKYSMFVQZMBX-UHFFFAOYSA-N
MW264.73 g/mol
LogP0.11
Rot. Bonds3

About 2-(azetidin-3-yloxy)benzenesulfonamide;hydrochloride

2-(azetidin-3-yloxy)benzenesulfonamide;hydrochloride (PubChem CID 146155932) has the molecular formula C9H13ClN2O3S and a molecular weight of 264.73 g/mol. Its IUPAC name is 2-(azetidin-3-yloxy)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name2-(azetidin-3-yloxy)benzenesulfonamide;hydrochloride
PubChem CID146155932
Molecular FormulaC9H13ClN2O3S
Molecular Weight264.73 g/mol
Exact Mass264.03
IUPAC Name2-(azetidin-3-yloxy)benzenesulfonamide;hydrochloride
SMILESCl.NS(=O)(=O)c1ccccc1OC1CNC1
InChIInChI=1S/C9H12N2O3S.ClH/c10-15(12,13)9-4-2-1-3-8(9)14-7-5-11-6-7;/h1-4,7,11H,5-6H2,(H2,10,12,13);1H
InChIKeyJZLKYSMFVQZMBX-UHFFFAOYSA-N
XLogP0.11
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.73
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yloxy)benzenesulfonamide;hydrochloride?
The IUPAC name of 2-(azetidin-3-yloxy)benzenesulfonamide;hydrochloride (CID 146155932) is 2-(azetidin-3-yloxy)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 2-(azetidin-3-yloxy)benzenesulfonamide;hydrochloride?
The canonical SMILES for 2-(azetidin-3-yloxy)benzenesulfonamide;hydrochloride is Cl.NS(=O)(=O)c1ccccc1OC1CNC1.
What is the InChIKey of 2-(azetidin-3-yloxy)benzenesulfonamide;hydrochloride?
The InChIKey is JZLKYSMFVQZMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S.ClH/c10-15(12,13)9-4-2-1-3-8(9)14-7-5-11-6-7;/h1-4,7,11H,5-6H2,(H2,10,12,13);1H.
What are the key properties of 2-(azetidin-3-yloxy)benzenesulfonamide;hydrochloride?
2-(azetidin-3-yloxy)benzenesulfonamide;hydrochloride has a molecular weight of 264.73 g/mol, XLogP of 0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yloxy)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 146155932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).