7-[4-[(4-chlorophenoxy)methyl]phenyl]sulfonyl-6-methoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride

C23H23Cl2NO4S — CID 10390402

IUPAC7-[4-[(4-chlorophenoxy)methyl]phenyl]sulfonyl-6-methoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride
SMILESCOc1cc2c(cc1S(=O)(=O)c1ccc(COc3ccc(Cl)cc3)cc1)CNCC2.Cl
InChIInChI=1S/C23H22ClNO4S.ClH/c1-28-22-12-17-10-11-25-14-18(17)13-23(22)30(26,27)21-8-2-16(3-9-21)15-29-20-6-4-19(24)5-7-20;/h2-9,12-13,25H,10-11,14-15H2,1H3;1H
InChIKeyGHQFJSFJVANWBE-UHFFFAOYSA-N
MW480.41 g/mol
LogP4.83
Rot. Bonds6

About 7-[4-[(4-chlorophenoxy)methyl]phenyl]sulfonyl-6-methoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride

7-[4-[(4-chlorophenoxy)methyl]phenyl]sulfonyl-6-methoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride (PubChem CID 10390402) has the molecular formula C23H23Cl2NO4S and a molecular weight of 480.41 g/mol. Its IUPAC name is 7-[4-[(4-chlorophenoxy)methyl]phenyl]sulfonyl-6-methoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride.

Molecular Properties

Compound Name7-[4-[(4-chlorophenoxy)methyl]phenyl]sulfonyl-6-methoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride
PubChem CID10390402
Molecular FormulaC23H23Cl2NO4S
Molecular Weight480.41 g/mol
Exact Mass479.07
IUPAC Name7-[4-[(4-chlorophenoxy)methyl]phenyl]sulfonyl-6-methoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride
SMILESCOc1cc2c(cc1S(=O)(=O)c1ccc(COc3ccc(Cl)cc3)cc1)CNCC2.Cl
InChIInChI=1S/C23H22ClNO4S.ClH/c1-28-22-12-17-10-11-25-14-18(17)13-23(22)30(26,27)21-8-2-16(3-9-21)15-29-20-6-4-19(24)5-7-20;/h2-9,12-13,25H,10-11,14-15H2,1H3;1H
InChIKeyGHQFJSFJVANWBE-UHFFFAOYSA-N
XLogP4.83
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.41
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-[4-[(4-chlorophenoxy)methyl]phenyl]sulfonyl-6-methoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride with MolForge

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Related Compounds

3-[4-[(4-chlorophenyl)methoxy]phenyl]sulfonyl-2-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 143053878
2-(3-methoxyphenyl)-1-[4-[(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)sulfonyl]phenyl]ethanamine
CID 68831065
7-(benzenesulfonyl)-8-methoxy-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 22368314
7-[4-[(4-chlorophenyl)methoxy]phenyl]sulfonyl-3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-8-ol;hydrochloride
CID 44529470
5-[(4-chlorophenoxy)methyl]-2,3-dihydro-1H-isoindole
CID 115104581
7-[(4-methylphenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 115104157
4-[(4-chlorophenyl)methoxy]-2-methoxyaniline
CID 65126776
7-methoxy-6-[2-(4-methylphenyl)sulfonylethoxy]-1,2,3,4-tetrahydroisoquinoline
CID 90098697
7-[(5-chloro-2-pyridinyl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 167432009
7-[(5-methoxy-2-pyridinyl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 156505098
[4-[2-(4-chlorophenyl)sulfonyl-4-methoxyphenyl]sulfonylphenyl]methanamine
CID 142805303
1-[3-[(4-chlorophenyl)methoxy]phenyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 5023309

Frequently Asked Questions

What is the IUPAC name of 7-[4-[(4-chlorophenoxy)methyl]phenyl]sulfonyl-6-methoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The IUPAC name of 7-[4-[(4-chlorophenoxy)methyl]phenyl]sulfonyl-6-methoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride (CID 10390402) is 7-[4-[(4-chlorophenoxy)methyl]phenyl]sulfonyl-6-methoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride.
What is the SMILES notation for 7-[4-[(4-chlorophenoxy)methyl]phenyl]sulfonyl-6-methoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The canonical SMILES for 7-[4-[(4-chlorophenoxy)methyl]phenyl]sulfonyl-6-methoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride is COc1cc2c(cc1S(=O)(=O)c1ccc(COc3ccc(Cl)cc3)cc1)CNCC2.Cl.
What is the InChIKey of 7-[4-[(4-chlorophenoxy)methyl]phenyl]sulfonyl-6-methoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The InChIKey is GHQFJSFJVANWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClNO4S.ClH/c1-28-22-12-17-10-11-25-14-18(17)13-23(22)30(26,27)21-8-2-16(3-9-21)15-29-20-6-4-19(24)5-7-20;/h2-9,12-13,25H,10-11,14-15H2,1H3;1H.
What are the key properties of 7-[4-[(4-chlorophenoxy)methyl]phenyl]sulfonyl-6-methoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
7-[4-[(4-chlorophenoxy)methyl]phenyl]sulfonyl-6-methoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride has a molecular weight of 480.41 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[(4-chlorophenoxy)methyl]phenyl]sulfonyl-6-methoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride is sourced from PubChem (CID 10390402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).