2-(2,5-dimethoxyphenyl)sulfonyl-3-methyl-3,4-dihydro-1H-isoquinoline

C18H21NO4S — CID 110750681

IUPAC2-(2,5-dimethoxyphenyl)sulfonyl-3-methyl-3,4-dihydro-1H-isoquinoline
SMILESCOc1ccc(OC)c(S(=O)(=O)N2Cc3ccccc3CC2C)c1
InChIInChI=1S/C18H21NO4S/c1-13-10-14-6-4-5-7-15(14)12-19(13)24(20,21)18-11-16(22-2)8-9-17(18)23-3/h4-9,11,13H,10,12H2,1-3H3
InChIKeyONVLULTVANRYEP-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.84
Rot. Bonds4

About 2-(2,5-dimethoxyphenyl)sulfonyl-3-methyl-3,4-dihydro-1H-isoquinoline

2-(2,5-dimethoxyphenyl)sulfonyl-3-methyl-3,4-dihydro-1H-isoquinoline (PubChem CID 110750681) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)sulfonyl-3-methyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)sulfonyl-3-methyl-3,4-dihydro-1H-isoquinoline
PubChem CID110750681
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC Name2-(2,5-dimethoxyphenyl)sulfonyl-3-methyl-3,4-dihydro-1H-isoquinoline
SMILESCOc1ccc(OC)c(S(=O)(=O)N2Cc3ccccc3CC2C)c1
InChIInChI=1S/C18H21NO4S/c1-13-10-14-6-4-5-7-15(14)12-19(13)24(20,21)18-11-16(22-2)8-9-17(18)23-3/h4-9,11,13H,10,12H2,1-3H3
InChIKeyONVLULTVANRYEP-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethoxyphenyl)sulfonyl-N-phenyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 2970176
(3R)-2-(2,5-dimethoxyphenyl)sulfonyl-N-(2,4-dimethylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 40775805
1-(2,4-dimethoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 19683272
(1S)-2-(2,5-dimethoxyphenyl)sulfonyl-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 7999096
(3S,4R)-1-(2,5-dimethoxyphenyl)sulfonylpyrrolidine-3,4-diol
CID 79410107
(3R)-N-(2,5-dimethoxyphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 95075354
2-benzyl-1-(2,5-dimethoxyphenyl)sulfonylpyrrolidine
CID 51335834
N-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 53091369
(2S)-1-(4-methoxy-2-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 7456409
4-[(2S)-1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 30747502
ethyl 2-[(1R)-2-(2,5-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetate
CID 92706150
(2R)-1-(5-ethyl-2-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 9267432

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)sulfonyl-3-methyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-(2,5-dimethoxyphenyl)sulfonyl-3-methyl-3,4-dihydro-1H-isoquinoline (CID 110750681) is 2-(2,5-dimethoxyphenyl)sulfonyl-3-methyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)sulfonyl-3-methyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)sulfonyl-3-methyl-3,4-dihydro-1H-isoquinoline is COc1ccc(OC)c(S(=O)(=O)N2Cc3ccccc3CC2C)c1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)sulfonyl-3-methyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is ONVLULTVANRYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4S/c1-13-10-14-6-4-5-7-15(14)12-19(13)24(20,21)18-11-16(22-2)8-9-17(18)23-3/h4-9,11,13H,10,12H2,1-3H3.
What are the key properties of 2-(2,5-dimethoxyphenyl)sulfonyl-3-methyl-3,4-dihydro-1H-isoquinoline?
2-(2,5-dimethoxyphenyl)sulfonyl-3-methyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 347.44 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)sulfonyl-3-methyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 110750681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).