6-methoxy-2-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline

C18H21NO4S — CID 110726130

IUPAC6-methoxy-2-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
SMILESCOc1ccc2c(c1)CCN(S(=O)(=O)c1cc(C)ccc1OC)C2
InChIInChI=1S/C18H21NO4S/c1-13-4-7-17(23-3)18(10-13)24(20,21)19-9-8-14-11-16(22-2)6-5-15(14)12-19/h4-7,10-11H,8-9,12H2,1-3H3
InChIKeyCFJFZFXKVOXSKW-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.76
Rot. Bonds4

About 6-methoxy-2-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline

6-methoxy-2-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline (PubChem CID 110726130) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is 6-methoxy-2-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name6-methoxy-2-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
PubChem CID110726130
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC Name6-methoxy-2-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
SMILESCOc1ccc2c(c1)CCN(S(=O)(=O)c1cc(C)ccc1OC)C2
InChIInChI=1S/C18H21NO4S/c1-13-4-7-17(23-3)18(10-13)24(20,21)19-9-8-14-11-16(22-2)6-5-15(14)12-19/h4-7,10-11H,8-9,12H2,1-3H3
InChIKeyCFJFZFXKVOXSKW-UHFFFAOYSA-N
XLogP2.76
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-bis[(2-methoxy-5-methylphenyl)sulfonyl]piperazine
CID 1125110
1-(2-methoxy-5-methylphenyl)sulfonyl-4-methylpiperazine
CID 746471
2-[3-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-4-methoxyphenyl]sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 46088792
4-(2-methoxy-5-methylphenyl)sulfonylpiperazine-2,6-dione
CID 66085376
6-(4-methoxyphenyl)-2-(2,4,6-trimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
CID 134414747
1-(2-methoxy-5-methylphenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine
CID 8795280
3,3-difluoro-1-(2-methoxy-5-methylphenyl)sulfonylazetidine
CID 167493621
4-(2,5-dimethoxyphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide
CID 110721462
1-(2-methoxy-5-methylphenyl)sulfonyl-4-phenylpiperazine
CID 775526
4-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-methoxyphenyl]-2-methyl-1,3-thiazole
CID 20974298
1-[3-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]phenyl]ethanone
CID 110726151
2-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
CID 2059852

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 6-methoxy-2-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline (CID 110726130) is 6-methoxy-2-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 6-methoxy-2-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 6-methoxy-2-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline is COc1ccc2c(c1)CCN(S(=O)(=O)c1cc(C)ccc1OC)C2.
What is the InChIKey of 6-methoxy-2-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is CFJFZFXKVOXSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4S/c1-13-4-7-17(23-3)18(10-13)24(20,21)19-9-8-14-11-16(22-2)6-5-15(14)12-19/h4-7,10-11H,8-9,12H2,1-3H3.
What are the key properties of 6-methoxy-2-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline?
6-methoxy-2-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 347.44 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 110726130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).