4-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)benzenesulfonamide

C17H18N2O4S — CID 70682044

IUPAC4-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)benzenesulfonamide
SMILESCOc1cc2c(cc1OC)C(c1ccc(S(N)(=O)=O)cc1)=NCC2
InChIInChI=1S/C17H18N2O4S/c1-22-15-9-12-7-8-19-17(14(12)10-16(15)23-2)11-3-5-13(6-4-11)24(18,20)21/h3-6,9-10H,7-8H2,1-2H3,(H2,18,20,21)
InChIKeySTVYJCDTYMALCL-UHFFFAOYSA-N
MW346.41 g/mol
LogP1.74
Rot. Bonds4

About 4-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)benzenesulfonamide

4-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)benzenesulfonamide (PubChem CID 70682044) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is 4-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)benzenesulfonamide
PubChem CID70682044
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC Name4-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)benzenesulfonamide
SMILESCOc1cc2c(cc1OC)C(c1ccc(S(N)(=O)=O)cc1)=NCC2
InChIInChI=1S/C17H18N2O4S/c1-22-15-9-12-7-8-19-17(14(12)10-16(15)23-2)11-3-5-13(6-4-11)24(18,20)21/h3-6,9-10H,7-8H2,1-2H3,(H2,18,20,21)
InChIKeySTVYJCDTYMALCL-UHFFFAOYSA-N
XLogP1.74
TPSA90.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-((3,4-Dimethoxyphenyl)methyl)-3,4-dihydro-6,7-dimethoxyisoquinoline
CID 22176
N-(2-(3,4-Dimethoxyphenyl)ethyl)benzenesulfonamide
CID 748770
6,7-Dimethoxy-1-phenyl-3,4-dihydroisoquinoline
CID 622378
1-(3,4-Dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline
CID 429249
6,7-Dimethoxy-1-(4-methoxyphenyl)-3,4-dihydroisoquinoline
CID 872504
6,7-Dimethoxy-1-(2-phenylethyl)-3,4-dihydroisoquinoline
CID 3766962
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methylbenzene-1-sulfonamide
CID 703894
4-(6-Methoxy-3,4-Dihydroisoquinolin-1-Yl)benzenesulfonamide
CID 56928044
N-[2-(3,4-dimethoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 8470294
1-Benzyl-6,7-dimethoxy-3,4-dihydro-isoquinoline
CID 422931
1-(3,4-Dimethoxybenzyl)-3,4-dihydro-6,7-dimethoxyisoquinolinium chloride
CID 12317241
N'-[1-(3,4-dimethoxyphenyl)ethylidene]benzenesulfonohydrazide
CID 5411715

Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)benzenesulfonamide?
The IUPAC name of 4-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)benzenesulfonamide (CID 70682044) is 4-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)benzenesulfonamide.
What is the SMILES notation for 4-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)benzenesulfonamide?
The canonical SMILES for 4-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)benzenesulfonamide is COc1cc2c(cc1OC)C(c1ccc(S(N)(=O)=O)cc1)=NCC2.
What is the InChIKey of 4-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)benzenesulfonamide?
The InChIKey is STVYJCDTYMALCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-22-15-9-12-7-8-19-17(14(12)10-16(15)23-2)11-3-5-13(6-4-11)24(18,20)21/h3-6,9-10H,7-8H2,1-2H3,(H2,18,20,21).
What are the key properties of 4-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)benzenesulfonamide?
4-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)benzenesulfonamide has a molecular weight of 346.41 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)benzenesulfonamide is sourced from PubChem (CID 70682044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).