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

C18H15NO2S2 — CID 134605611

IUPAC4-(4-methylphenyl)sulfonyl-5H-thieno[3,2-c]isoquinoline
SMILESCc1ccc(S(=O)(=O)N2Cc3ccccc3-c3sccc32)cc1
InChIInChI=1S/C18H15NO2S2/c1-13-6-8-15(9-7-13)23(20,21)19-12-14-4-2-3-5-16(14)18-17(19)10-11-22-18/h2-11H,12H2,1H3
InChIKeyGTCZKWNAVANGJD-UHFFFAOYSA-N
MW341.46 g/mol
LogP4.43
Rot. Bonds2

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

4-(4-methylphenyl)sulfonyl-5H-thieno[3,2-c]isoquinoline (PubChem CID 134605611) has the molecular formula C18H15NO2S2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 4-(4-methylphenyl)sulfonyl-5H-thieno[3,2-c]isoquinoline.

Molecular Properties

Compound Name4-(4-methylphenyl)sulfonyl-5H-thieno[3,2-c]isoquinoline
PubChem CID134605611
Molecular FormulaC18H15NO2S2
Molecular Weight341.46 g/mol
Exact Mass341.05
IUPAC Name4-(4-methylphenyl)sulfonyl-5H-thieno[3,2-c]isoquinoline
SMILESCc1ccc(S(=O)(=O)N2Cc3ccccc3-c3sccc32)cc1
InChIInChI=1S/C18H15NO2S2/c1-13-6-8-15(9-7-13)23(20,21)19-12-14-4-2-3-5-16(14)18-17(19)10-11-22-18/h2-11H,12H2,1H3
InChIKeyGTCZKWNAVANGJD-UHFFFAOYSA-N
XLogP4.43
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)sulfonyl-5H-thieno[3,2-c]isoquinoline?
The IUPAC name of 4-(4-methylphenyl)sulfonyl-5H-thieno[3,2-c]isoquinoline (CID 134605611) is 4-(4-methylphenyl)sulfonyl-5H-thieno[3,2-c]isoquinoline.
What is the SMILES notation for 4-(4-methylphenyl)sulfonyl-5H-thieno[3,2-c]isoquinoline?
The canonical SMILES for 4-(4-methylphenyl)sulfonyl-5H-thieno[3,2-c]isoquinoline is Cc1ccc(S(=O)(=O)N2Cc3ccccc3-c3sccc32)cc1.
What is the InChIKey of 4-(4-methylphenyl)sulfonyl-5H-thieno[3,2-c]isoquinoline?
The InChIKey is GTCZKWNAVANGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2S2/c1-13-6-8-15(9-7-13)23(20,21)19-12-14-4-2-3-5-16(14)18-17(19)10-11-22-18/h2-11H,12H2,1H3.
What are the key properties of 4-(4-methylphenyl)sulfonyl-5H-thieno[3,2-c]isoquinoline?
4-(4-methylphenyl)sulfonyl-5H-thieno[3,2-c]isoquinoline has a molecular weight of 341.46 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)sulfonyl-5H-thieno[3,2-c]isoquinoline is sourced from PubChem (CID 134605611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).