N-[2-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]benzenesulfonamide;hydrochloride

C25H27Cl3N2O3S — CID 57471180

About N-[2-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]benzenesulfonamide;hydrochloride

N-[2-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]benzenesulfonamide;hydrochloride (PubChem CID 57471180) has the molecular formula C25H27Cl3N2O3S and a molecular weight of 541.93 g/mol. Its IUPAC name is N-[2-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]benzenesulfonamide;hydrochloride.

Molecular Properties

• Compound Name: N-[2-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]benzenesulfonamide;hydrochloride
• PubChem CID: 57471180
• Molecular Formula: C25H27Cl3N2O3S
• Molecular Weight: 541.93 g/mol
• Exact Mass: 540.08
• IUPAC Name: N-[2-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]benzenesulfonamide;hydrochloride
• SMILES: Cl.NC1CCc2ccc(OCCNS(=O)(=O)c3ccccc3)cc2C1Cc1ccc(Cl)c(Cl)c1
• InChI: InChI=1S/C25H26Cl2N2O3S.ClH/c26-23-10-6-17(15-24(23)27)14-22-21-16-19(9-7-18(21)8-11-25(22)28)32-13-12-29-33(30,31)20-4-2-1-3-5-20;/h1-7,9-10,15-16,22,25,29H,8,11-14,28H2;1H
• InChIKey: GIULPBBYSQYXOI-UHFFFAOYSA-N
• XLogP: 5.37
• TPSA: 81.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	541.93
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]benzenesulfonamide;hydrochloride?

The IUPAC name of N-[2-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]benzenesulfonamide;hydrochloride (CID 57471180) is N-[2-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]benzenesulfonamide;hydrochloride.

What is the SMILES notation for N-[2-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]benzenesulfonamide;hydrochloride?

The canonical SMILES for N-[2-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]benzenesulfonamide;hydrochloride is Cl.NC1CCc2ccc(OCCNS(=O)(=O)c3ccccc3)cc2C1Cc1ccc(Cl)c(Cl)c1.

What is the InChIKey of N-[2-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]benzenesulfonamide;hydrochloride?

The InChIKey is GIULPBBYSQYXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26Cl2N2O3S.ClH/c26-23-10-6-17(15-24(23)27)14-22-21-16-19(9-7-18(21)8-11-25(22)28)32-13-12-29-33(30,31)20-4-2-1-3-5-20;/h1-7,9-10,15-16,22,25,29H,8,11-14,28H2;1H.

What are the key properties of N-[2-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]benzenesulfonamide;hydrochloride?

N-[2-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]benzenesulfonamide;hydrochloride has a molecular weight of 541.93 g/mol, XLogP of 5.37, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 57471180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).