N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-sulfonamide;hydrochloride

C18H20Cl2N2O4S — CID 120722144

About N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-sulfonamide;hydrochloride

N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-sulfonamide;hydrochloride (PubChem CID 120722144) has the molecular formula C18H20Cl2N2O4S and a molecular weight of 431.34 g/mol. Its IUPAC name is N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-sulfonamide;hydrochloride.

Molecular Properties

• Compound Name: N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-sulfonamide;hydrochloride
• PubChem CID: 120722144
• Molecular Formula: C18H20Cl2N2O4S
• Molecular Weight: 431.34 g/mol
• Exact Mass: 430.05
• IUPAC Name: N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-sulfonamide;hydrochloride
• SMILES: Cl.Nc1ccc2c(c1)CCCC2NS(=O)(=O)c1cc2c(cc1Cl)OCCO2
• InChI: InChI=1S/C18H19ClN2O4S.ClH/c19-14-9-16-17(25-7-6-24-16)10-18(14)26(22,23)21-15-3-1-2-11-8-12(20)4-5-13(11)15;/h4-5,8-10,15,21H,1-3,6-7,20H2;1H
• InChIKey: WZZUBTMPTWTFMW-UHFFFAOYSA-N
• XLogP: 3.47
• TPSA: 90.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.34
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-sulfonamide;hydrochloride?

The IUPAC name of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-sulfonamide;hydrochloride (CID 120722144) is N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-sulfonamide;hydrochloride.

What is the SMILES notation for N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-sulfonamide;hydrochloride?

The canonical SMILES for N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-sulfonamide;hydrochloride is Cl.Nc1ccc2c(c1)CCCC2NS(=O)(=O)c1cc2c(cc1Cl)OCCO2.

What is the InChIKey of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-sulfonamide;hydrochloride?

The InChIKey is WZZUBTMPTWTFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4S.ClH/c19-14-9-16-17(25-7-6-24-16)10-18(14)26(22,23)21-15-3-1-2-11-8-12(20)4-5-13(11)15;/h4-5,8-10,15,21H,1-3,6-7,20H2;1H.

What are the key properties of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-sulfonamide;hydrochloride?

N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-sulfonamide;hydrochloride has a molecular weight of 431.34 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-sulfonamide;hydrochloride is sourced from PubChem (CID 120722144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).