1-ethyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-sulfonamide

C13H20N2O4S — CID 45378229

IUPAC1-ethyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-sulfonamide
SMILESCCC1c2cc(OC)c(OC)cc2CCN1S(N)(=O)=O
InChIInChI=1S/C13H20N2O4S/c1-4-11-10-8-13(19-3)12(18-2)7-9(10)5-6-15(11)20(14,16)17/h7-8,11H,4-6H2,1-3H3,(H2,14,16,17)
InChIKeyZUCPDEDAEDZYCF-UHFFFAOYSA-N
MW300.38 g/mol
LogP1.22
Rot. Bonds4

About 1-ethyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-sulfonamide

1-ethyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-sulfonamide (PubChem CID 45378229) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is 1-ethyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-sulfonamide.

Molecular Properties

Compound Name1-ethyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-sulfonamide
PubChem CID45378229
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name1-ethyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-sulfonamide
SMILESCCC1c2cc(OC)c(OC)cc2CCN1S(N)(=O)=O
InChIInChI=1S/C13H20N2O4S/c1-4-11-10-8-13(19-3)12(18-2)7-9(10)5-6-15(11)20(14,16)17/h7-8,11H,4-6H2,1-3H3,(H2,14,16,17)
InChIKeyZUCPDEDAEDZYCF-UHFFFAOYSA-N
XLogP1.22
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(chloromethyl)-6,7-dimethoxy-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline
CID 10495902
6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 56807771
ethyl (1S)-1-ethyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 122202729
1-(4-aminophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 44574250
2-butylsulfonyl-6,7-dimethoxy-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline
CID 110357551
2-ethylsulfonyl-6,7-dimethoxy-1-propan-2-yl-3,4-dihydro-1H-isoquinoline
CID 110289342
methyl 2-[(1S)-6,7-dimethoxy-2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetate
CID 7063225
2-(benzenesulfonyl)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 20787863
6,7-dimethoxy-1-propan-2-yl-2-propylsulfonyl-3,4-dihydro-1H-isoquinoline
CID 110289343
2-[6,7-dimethoxy-2-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetonitrile
CID 6735435
methyl 2-[(1R)-2-(4-ethoxyphenyl)sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetate
CID 29220387
methyl 2-[2-(2,5-dimethoxyphenyl)sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetate
CID 46274604

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The IUPAC name of 1-ethyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-sulfonamide (CID 45378229) is 1-ethyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-sulfonamide.
What is the SMILES notation for 1-ethyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The canonical SMILES for 1-ethyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-sulfonamide is CCC1c2cc(OC)c(OC)cc2CCN1S(N)(=O)=O.
What is the InChIKey of 1-ethyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The InChIKey is ZUCPDEDAEDZYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-4-11-10-8-13(19-3)12(18-2)7-9(10)5-6-15(11)20(14,16)17/h7-8,11H,4-6H2,1-3H3,(H2,14,16,17).
What are the key properties of 1-ethyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
1-ethyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-sulfonamide has a molecular weight of 300.38 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-sulfonamide is sourced from PubChem (CID 45378229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).