N-[(5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-sulfonamide

C22H29N3O8S2 — CID 12823223

IUPACN-[(5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-sulfonamide
SMILESCOc1ccc(OC)c2c1CCN(S(=O)(=O)NS(=O)(=O)N1CCc3c(OC)ccc(OC)c3C1)C2
InChIInChI=1S/C22H29N3O8S2/c1-30-19-5-7-21(32-3)17-13-24(11-9-15(17)19)34(26,27)23-35(28,29)25-12-10-16-18(14-25)22(33-4)8-6-20(16)31-2/h5-8,23H,9-14H2,1-4H3
InChIKeyDUTKDGGVUJBNBF-UHFFFAOYSA-N
MW527.62 g/mol
LogP1.22
Rot. Bonds8

About N-[(5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-sulfonamide

N-[(5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-sulfonamide (PubChem CID 12823223) has the molecular formula C22H29N3O8S2 and a molecular weight of 527.62 g/mol. Its IUPAC name is N-[(5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-sulfonamide.

Molecular Properties

Compound NameN-[(5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-sulfonamide
PubChem CID12823223
Molecular FormulaC22H29N3O8S2
Molecular Weight527.62 g/mol
Exact Mass527.14
IUPAC NameN-[(5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-sulfonamide
SMILESCOc1ccc(OC)c2c1CCN(S(=O)(=O)NS(=O)(=O)N1CCc3c(OC)ccc(OC)c3C1)C2
InChIInChI=1S/C22H29N3O8S2/c1-30-19-5-7-21(32-3)17-13-24(11-9-15(17)19)34(26,27)23-35(28,29)25-12-10-16-18(14-25)22(33-4)8-6-20(16)31-2/h5-8,23H,9-14H2,1-4H3
InChIKeyDUTKDGGVUJBNBF-UHFFFAOYSA-N
XLogP1.22
TPSA123.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.62
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[(5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-sulfonamide with MolForge

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Related Compounds

2-chloro-1-(5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 166415824
2-(benzenesulfonyl)-5-bromo-7,8-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 10764140
2-(8-bromo-5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetic acid
CID 82582275
4-cyclopropylidene-1-(3,4-dimethoxyphenyl)sulfonylpiperidine
CID 121187227
3,5-dichloro-N-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 143337884
8-amino-N-(2-methoxyethyl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 114816263
6-chloro-N-(3-chloro-5-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-sulfonamide
CID 146387587
7-chloro-2-(2-methoxy-5-methylphenyl)sulfonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 113089861
4-(5-chloro-2-methoxyphenyl)sulfonylthiomorpholine
CID 27241340
7-chloro-N-[[7-chloro-8-(1,1,2,2-tetrafluoroethylsulfanyl)-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]-8-(1,1,2,2-tetrafluoroethylsulfanyl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 12823222
5-methoxy-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-8-carboxylic acid
CID 154867968
5-methoxy-3,4-dihydro-1H-isoquinolin-2-amine
CID 89009600

Frequently Asked Questions

What is the IUPAC name of N-[(5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The IUPAC name of N-[(5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-sulfonamide (CID 12823223) is N-[(5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-sulfonamide.
What is the SMILES notation for N-[(5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The canonical SMILES for N-[(5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-sulfonamide is COc1ccc(OC)c2c1CCN(S(=O)(=O)NS(=O)(=O)N1CCc3c(OC)ccc(OC)c3C1)C2.
What is the InChIKey of N-[(5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The InChIKey is DUTKDGGVUJBNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O8S2/c1-30-19-5-7-21(32-3)17-13-24(11-9-15(17)19)34(26,27)23-35(28,29)25-12-10-16-18(14-25)22(33-4)8-6-20(16)31-2/h5-8,23H,9-14H2,1-4H3.
What are the key properties of N-[(5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
N-[(5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-sulfonamide has a molecular weight of 527.62 g/mol, XLogP of 1.22, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-sulfonamide is sourced from PubChem (CID 12823223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).