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

C17H13NO2S2 — CID 147561152

IUPAC4-(benzenesulfonyl)-5H-thieno[3,2-c]isoquinoline
SMILESO=S(=O)(c1ccccc1)N1Cc2ccccc2-c2sccc21
InChIInChI=1S/C17H13NO2S2/c19-22(20,14-7-2-1-3-8-14)18-12-13-6-4-5-9-15(13)17-16(18)10-11-21-17/h1-11H,12H2
InChIKeyFSQZPVGGKMYJPI-UHFFFAOYSA-N
MW327.43 g/mol
LogP4.12
Rot. Bonds2

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

4-(benzenesulfonyl)-5H-thieno[3,2-c]isoquinoline (PubChem CID 147561152) has the molecular formula C17H13NO2S2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-5H-thieno[3,2-c]isoquinoline.

Molecular Properties

Compound Name4-(benzenesulfonyl)-5H-thieno[3,2-c]isoquinoline
PubChem CID147561152
Molecular FormulaC17H13NO2S2
Molecular Weight327.43 g/mol
Exact Mass327.04
IUPAC Name4-(benzenesulfonyl)-5H-thieno[3,2-c]isoquinoline
SMILESO=S(=O)(c1ccccc1)N1Cc2ccccc2-c2sccc21
InChIInChI=1S/C17H13NO2S2/c19-22(20,14-7-2-1-3-8-14)18-12-13-6-4-5-9-15(13)17-16(18)10-11-21-17/h1-11H,12H2
InChIKeyFSQZPVGGKMYJPI-UHFFFAOYSA-N
XLogP4.12
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(benzenesulfonyl)-5H-thieno[3,2-c]isoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-5H-thieno[3,2-c]isoquinoline?
The IUPAC name of 4-(benzenesulfonyl)-5H-thieno[3,2-c]isoquinoline (CID 147561152) is 4-(benzenesulfonyl)-5H-thieno[3,2-c]isoquinoline.
What is the SMILES notation for 4-(benzenesulfonyl)-5H-thieno[3,2-c]isoquinoline?
The canonical SMILES for 4-(benzenesulfonyl)-5H-thieno[3,2-c]isoquinoline is O=S(=O)(c1ccccc1)N1Cc2ccccc2-c2sccc21.
What is the InChIKey of 4-(benzenesulfonyl)-5H-thieno[3,2-c]isoquinoline?
The InChIKey is FSQZPVGGKMYJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO2S2/c19-22(20,14-7-2-1-3-8-14)18-12-13-6-4-5-9-15(13)17-16(18)10-11-21-17/h1-11H,12H2.
What are the key properties of 4-(benzenesulfonyl)-5H-thieno[3,2-c]isoquinoline?
4-(benzenesulfonyl)-5H-thieno[3,2-c]isoquinoline has a molecular weight of 327.43 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-5H-thieno[3,2-c]isoquinoline is sourced from PubChem (CID 147561152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).