N-[2-[[7-amino-8-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]-N-methylpropane-1-sulfonamide;hydrochloride

C23H32Cl2N2O3S — CID 140556010

IUPACN-[2-[[7-amino-8-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]-N-methylpropane-1-sulfonamide;hydrochloride
SMILESCCCS(=O)(=O)N(C)CCOc1ccc2c(c1)C(Cc1ccc(Cl)cc1)C(N)CC2.Cl
InChIInChI=1S/C23H31ClN2O3S.ClH/c1-3-14-30(27,28)26(2)12-13-29-20-10-6-18-7-11-23(25)22(21(18)16-20)15-17-4-8-19(24)9-5-17;/h4-6,8-10,16,22-23H,3,7,11-15,25H2,1-2H3;1H
InChIKeyGAFZMFCQCYELDE-UHFFFAOYSA-N
MW487.49 g/mol
LogP4.41
Rot. Bonds9

About N-[2-[[7-amino-8-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]-N-methylpropane-1-sulfonamide;hydrochloride

N-[2-[[7-amino-8-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]-N-methylpropane-1-sulfonamide;hydrochloride (PubChem CID 140556010) has the molecular formula C23H32Cl2N2O3S and a molecular weight of 487.49 g/mol. Its IUPAC name is N-[2-[[7-amino-8-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]-N-methylpropane-1-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[[7-amino-8-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]-N-methylpropane-1-sulfonamide;hydrochloride
PubChem CID140556010
Molecular FormulaC23H32Cl2N2O3S
Molecular Weight487.49 g/mol
Exact Mass486.15
IUPAC NameN-[2-[[7-amino-8-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]-N-methylpropane-1-sulfonamide;hydrochloride
SMILESCCCS(=O)(=O)N(C)CCOc1ccc2c(c1)C(Cc1ccc(Cl)cc1)C(N)CC2.Cl
InChIInChI=1S/C23H31ClN2O3S.ClH/c1-3-14-30(27,28)26(2)12-13-29-20-10-6-18-7-11-23(25)22(21(18)16-20)15-17-4-8-19(24)9-5-17;/h4-6,8-10,16,22-23H,3,7,11-15,25H2,1-2H3;1H
InChIKeyGAFZMFCQCYELDE-UHFFFAOYSA-N
XLogP4.41
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.49
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]-1-cyclopropyl-N-methylmethanesulfonamide
CID 57467247
2-[[7-amino-8-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetamide;hydrochloride
CID 57467200
1-[(3,4-dichlorophenyl)methyl]-7-(3-pentylsulfonylpropoxy)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 158894025
1-[(3,4-dichlorophenyl)methyl]-7-[3-(2-ethoxyethylsulfonyl)propoxy]-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 158126424
1-[(3,4-dichlorophenyl)methyl]-7-(3-propan-2-ylsulfonylpropoxy)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 158713128
1-benzyl-7-[2-(cyclopropylamino)ethoxy]-1,2,3,4-tetrahydronaphthalen-2-amine;propane-1-sulfonic acid
CID 172817222
1-benzyl-7-(3-cyclopropylsulfonylpropoxy)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 161388678
N-[2-(3-chlorophenoxy)ethyl]-N-methylpropane-1-sulfonamide
CID 61383903
7-[3-(2-cyclopropylethylsulfonyl)propoxy]-1-[(3,4-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 159693298
N-[2-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]benzenesulfonamide;hydrochloride
CID 57471180
ethyl N-[1-[(3,4-dichlorophenyl)methyl]-7-[2-(propylsulfonylamino)ethoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
CID 59547759
7-(2-aminoethoxy)-1-[(2-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 68509426

Frequently Asked Questions

What is the IUPAC name of N-[2-[[7-amino-8-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]-N-methylpropane-1-sulfonamide;hydrochloride?
The IUPAC name of N-[2-[[7-amino-8-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]-N-methylpropane-1-sulfonamide;hydrochloride (CID 140556010) is N-[2-[[7-amino-8-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]-N-methylpropane-1-sulfonamide;hydrochloride.
What is the SMILES notation for N-[2-[[7-amino-8-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]-N-methylpropane-1-sulfonamide;hydrochloride?
The canonical SMILES for N-[2-[[7-amino-8-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]-N-methylpropane-1-sulfonamide;hydrochloride is CCCS(=O)(=O)N(C)CCOc1ccc2c(c1)C(Cc1ccc(Cl)cc1)C(N)CC2.Cl.
What is the InChIKey of N-[2-[[7-amino-8-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]-N-methylpropane-1-sulfonamide;hydrochloride?
The InChIKey is GAFZMFCQCYELDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31ClN2O3S.ClH/c1-3-14-30(27,28)26(2)12-13-29-20-10-6-18-7-11-23(25)22(21(18)16-20)15-17-4-8-19(24)9-5-17;/h4-6,8-10,16,22-23H,3,7,11-15,25H2,1-2H3;1H.
What are the key properties of N-[2-[[7-amino-8-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]-N-methylpropane-1-sulfonamide;hydrochloride?
N-[2-[[7-amino-8-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]-N-methylpropane-1-sulfonamide;hydrochloride has a molecular weight of 487.49 g/mol, XLogP of 4.41, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[7-amino-8-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]-N-methylpropane-1-sulfonamide;hydrochloride is sourced from PubChem (CID 140556010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).