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

C18H15NO3S2 — CID 70898481

IUPAC4-(4-methoxyphenyl)sulfonyl-5H-thieno[3,2-c]isoquinoline
SMILESCOc1ccc(S(=O)(=O)N2Cc3ccccc3-c3sccc32)cc1
InChIInChI=1S/C18H15NO3S2/c1-22-14-6-8-15(9-7-14)24(20,21)19-12-13-4-2-3-5-16(13)18-17(19)10-11-23-18/h2-11H,12H2,1H3
InChIKeyNXQAAPXGMVACMC-UHFFFAOYSA-N
MW357.46 g/mol
LogP4.13
Rot. Bonds3

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

4-(4-methoxyphenyl)sulfonyl-5H-thieno[3,2-c]isoquinoline (PubChem CID 70898481) has the molecular formula C18H15NO3S2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)sulfonyl-5H-thieno[3,2-c]isoquinoline.

Molecular Properties

Compound Name4-(4-methoxyphenyl)sulfonyl-5H-thieno[3,2-c]isoquinoline
PubChem CID70898481
Molecular FormulaC18H15NO3S2
Molecular Weight357.46 g/mol
Exact Mass357.05
IUPAC Name4-(4-methoxyphenyl)sulfonyl-5H-thieno[3,2-c]isoquinoline
SMILESCOc1ccc(S(=O)(=O)N2Cc3ccccc3-c3sccc32)cc1
InChIInChI=1S/C18H15NO3S2/c1-22-14-6-8-15(9-7-14)24(20,21)19-12-13-4-2-3-5-16(13)18-17(19)10-11-23-18/h2-11H,12H2,1H3
InChIKeyNXQAAPXGMVACMC-UHFFFAOYSA-N
XLogP4.13
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)sulfonyl-5H-thieno[3,2-c]isoquinoline?
The IUPAC name of 4-(4-methoxyphenyl)sulfonyl-5H-thieno[3,2-c]isoquinoline (CID 70898481) is 4-(4-methoxyphenyl)sulfonyl-5H-thieno[3,2-c]isoquinoline.
What is the SMILES notation for 4-(4-methoxyphenyl)sulfonyl-5H-thieno[3,2-c]isoquinoline?
The canonical SMILES for 4-(4-methoxyphenyl)sulfonyl-5H-thieno[3,2-c]isoquinoline is COc1ccc(S(=O)(=O)N2Cc3ccccc3-c3sccc32)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)sulfonyl-5H-thieno[3,2-c]isoquinoline?
The InChIKey is NXQAAPXGMVACMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3S2/c1-22-14-6-8-15(9-7-14)24(20,21)19-12-13-4-2-3-5-16(13)18-17(19)10-11-23-18/h2-11H,12H2,1H3.
What are the key properties of 4-(4-methoxyphenyl)sulfonyl-5H-thieno[3,2-c]isoquinoline?
4-(4-methoxyphenyl)sulfonyl-5H-thieno[3,2-c]isoquinoline has a molecular weight of 357.46 g/mol, XLogP of 4.13, 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-5H-thieno[3,2-c]isoquinoline is sourced from PubChem (CID 70898481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).