4-(4-methoxyphenyl)sulfonyl-3-methyl-5H-thieno[3,2-c]isoquinoline

C19H17NO3S2 — CID 134587984

IUPAC4-(4-methoxyphenyl)sulfonyl-3-methyl-5H-thieno[3,2-c]isoquinoline
SMILESCOc1ccc(S(=O)(=O)N2Cc3ccccc3-c3scc(C)c32)cc1
InChIInChI=1S/C19H17NO3S2/c1-13-12-24-19-17-6-4-3-5-14(17)11-20(18(13)19)25(21,22)16-9-7-15(23-2)8-10-16/h3-10,12H,11H2,1-2H3
InChIKeyMLGJYVOCHVIFOJ-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.44
Rot. Bonds3

About 4-(4-methoxyphenyl)sulfonyl-3-methyl-5H-thieno[3,2-c]isoquinoline

4-(4-methoxyphenyl)sulfonyl-3-methyl-5H-thieno[3,2-c]isoquinoline (PubChem CID 134587984) has the molecular formula C19H17NO3S2 and a molecular weight of 371.48 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)sulfonyl-3-methyl-5H-thieno[3,2-c]isoquinoline.

Molecular Properties

Compound Name4-(4-methoxyphenyl)sulfonyl-3-methyl-5H-thieno[3,2-c]isoquinoline
PubChem CID134587984
Molecular FormulaC19H17NO3S2
Molecular Weight371.48 g/mol
Exact Mass371.06
IUPAC Name4-(4-methoxyphenyl)sulfonyl-3-methyl-5H-thieno[3,2-c]isoquinoline
SMILESCOc1ccc(S(=O)(=O)N2Cc3ccccc3-c3scc(C)c32)cc1
InChIInChI=1S/C19H17NO3S2/c1-13-12-24-19-17-6-4-3-5-14(17)11-20(18(13)19)25(21,22)16-9-7-15(23-2)8-10-16/h3-10,12H,11H2,1-2H3
InChIKeyMLGJYVOCHVIFOJ-UHFFFAOYSA-N
XLogP4.44
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxyphenyl)sulfonyl-5H-thieno[3,2-c]isoquinoline
CID 70898481
2-iodo-4-(4-methoxyphenyl)sulfonyl-5H-thieno[3,2-c]isoquinoline
CID 134605438
2-chloro-4-(4-methoxyphenyl)sulfonyl-5H-thieno[3,2-c]isoquinoline
CID 134605445
2-bromo-4-(4-methoxyphenyl)sulfonyl-5H-thieno[3,2-c]isoquinoline
CID 134605554
2-chloro-4-(4-methoxyphenyl)sulfonyl-3-methyl-5H-thieno[3,2-c]isoquinoline
CID 166630251
2-bromo-4-(4-methoxyphenyl)sulfonyl-3-methyl-5H-thieno[3,2-c]isoquinoline
CID 134605464
1-(4-Methoxyphenyl)sulfonyl-7-thiophen-2-yl-2,3-dihydroindole
CID 66758595
4-methoxy-N-[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)-2-(thiophen-2-yl)ethyl]benzene-1-sulfonamide
CID 16823132
N-(2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(thiophen-3-yl)ethyl)-4-methoxybenzenesulfonamide
CID 16933340
6-Ethyl-8-fluoro-5-[(4-methoxyphenyl)sulfonyl]-2-thien-3-yl-5,6-dihydrophenanthridine
CID 22482332
2-Bromo-5,5-difluoro-4-(4-methoxyphenyl)sulfonyl-3-methylthieno[3,2-c]isoquinoline
CID 134605455
2-Bromo-5,5-difluoro-4-(4-methoxyphenyl)sulfonylthieno[3,2-c]isoquinoline
CID 134605469

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)sulfonyl-3-methyl-5H-thieno[3,2-c]isoquinoline?
The IUPAC name of 4-(4-methoxyphenyl)sulfonyl-3-methyl-5H-thieno[3,2-c]isoquinoline (CID 134587984) is 4-(4-methoxyphenyl)sulfonyl-3-methyl-5H-thieno[3,2-c]isoquinoline.
What is the SMILES notation for 4-(4-methoxyphenyl)sulfonyl-3-methyl-5H-thieno[3,2-c]isoquinoline?
The canonical SMILES for 4-(4-methoxyphenyl)sulfonyl-3-methyl-5H-thieno[3,2-c]isoquinoline is COc1ccc(S(=O)(=O)N2Cc3ccccc3-c3scc(C)c32)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)sulfonyl-3-methyl-5H-thieno[3,2-c]isoquinoline?
The InChIKey is MLGJYVOCHVIFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3S2/c1-13-12-24-19-17-6-4-3-5-14(17)11-20(18(13)19)25(21,22)16-9-7-15(23-2)8-10-16/h3-10,12H,11H2,1-2H3.
What are the key properties of 4-(4-methoxyphenyl)sulfonyl-3-methyl-5H-thieno[3,2-c]isoquinoline?
4-(4-methoxyphenyl)sulfonyl-3-methyl-5H-thieno[3,2-c]isoquinoline has a molecular weight of 371.48 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)sulfonyl-3-methyl-5H-thieno[3,2-c]isoquinoline is sourced from PubChem (CID 134587984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).