Name: Name:6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-2-sulfonamide
Brand: Angene
SKU: AG01A8VE
Rating: 90 (10 reviews)

6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-2-sulfonamide

CAS No.:

1094222-85-1

Catalog Number:

AG01A8VE

Molecular Formula:

C11H16N2O4S

Molecular Weight:

272.3207

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Purity

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Product Description

Catalog Number:

AG01A8VE

Chemical Name:

6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-2-sulfonamide

CAS Number:

1094222-85-1

Molecular Formula:

C11H16N2O4S

Molecular Weight:

272.3207

MDL Number:

MFCD11205212

IUPAC Name:

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

InChI:

InChI=1S/C11H16N2O4S/c1-16-10-5-8-3-4-13(18(12,14)15)7-9(8)6-11(10)17-2/h5-6H,3-4,7H2,1-2H3,(H2,12,14,15)

InChI Key:

YDCHIXAESCPAOW-UHFFFAOYSA-N

SMILES:

COc1cc2CN(CCc2cc1OC)S(=O)(=O)N

NSC Number:

750693

Properties

Complexity:

381

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

272.083g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

272.319g/mol

Monoisotopic Mass:

272.083g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

90.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.3

Literature

Title	Journal
Structural basis for the interaction between carbonic anhydrase and 1,2,3,4-tetrahydroisoquinolin-2-ylsulfonamides.	Journal of medicinal chemistry 20110414
Identification of 3,4-Dihydroisoquinoline-2(1H)-sulfonamides as potent carbonic anhydrase inhibitors: synthesis, biological evaluation, and enzyme--ligand X-ray studies.	Journal of medicinal chemistry 20100325