4-[(5-ethyl-5H-thieno[3,2-c]isoquinolin-4-yl)sulfonyl]phenol

C19H17NO3S2 — CID 11494467

IUPAC4-[(5-ethyl-5H-thieno[3,2-c]isoquinolin-4-yl)sulfonyl]phenol
SMILESCCC1c2ccccc2-c2sccc2N1S(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C19H17NO3S2/c1-2-17-15-5-3-4-6-16(15)19-18(11-12-24-19)20(17)25(22,23)14-9-7-13(21)8-10-14/h3-12,17,21H,2H2,1H3
InChIKeyOIQMJACKZIMXDB-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.78
Rot. Bonds3

About 4-[(5-ethyl-5H-thieno[3,2-c]isoquinolin-4-yl)sulfonyl]phenol

4-[(5-ethyl-5H-thieno[3,2-c]isoquinolin-4-yl)sulfonyl]phenol (PubChem CID 11494467) has the molecular formula C19H17NO3S2 and a molecular weight of 371.48 g/mol. Its IUPAC name is 4-[(5-ethyl-5H-thieno[3,2-c]isoquinolin-4-yl)sulfonyl]phenol.

Molecular Properties

Compound Name4-[(5-ethyl-5H-thieno[3,2-c]isoquinolin-4-yl)sulfonyl]phenol
PubChem CID11494467
Molecular FormulaC19H17NO3S2
Molecular Weight371.48 g/mol
Exact Mass371.06
IUPAC Name4-[(5-ethyl-5H-thieno[3,2-c]isoquinolin-4-yl)sulfonyl]phenol
SMILESCCC1c2ccccc2-c2sccc2N1S(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C19H17NO3S2/c1-2-17-15-5-3-4-6-16(15)19-18(11-12-24-19)20(17)25(22,23)14-9-7-13(21)8-10-14/h3-12,17,21H,2H2,1H3
InChIKeyOIQMJACKZIMXDB-UHFFFAOYSA-N
XLogP4.78
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-ethyl-5H-thieno[3,2-c]isoquinolin-4-yl)sulfonyl]phenol?
The IUPAC name of 4-[(5-ethyl-5H-thieno[3,2-c]isoquinolin-4-yl)sulfonyl]phenol (CID 11494467) is 4-[(5-ethyl-5H-thieno[3,2-c]isoquinolin-4-yl)sulfonyl]phenol.
What is the SMILES notation for 4-[(5-ethyl-5H-thieno[3,2-c]isoquinolin-4-yl)sulfonyl]phenol?
The canonical SMILES for 4-[(5-ethyl-5H-thieno[3,2-c]isoquinolin-4-yl)sulfonyl]phenol is CCC1c2ccccc2-c2sccc2N1S(=O)(=O)c1ccc(O)cc1.
What is the InChIKey of 4-[(5-ethyl-5H-thieno[3,2-c]isoquinolin-4-yl)sulfonyl]phenol?
The InChIKey is OIQMJACKZIMXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3S2/c1-2-17-15-5-3-4-6-16(15)19-18(11-12-24-19)20(17)25(22,23)14-9-7-13(21)8-10-14/h3-12,17,21H,2H2,1H3.
What are the key properties of 4-[(5-ethyl-5H-thieno[3,2-c]isoquinolin-4-yl)sulfonyl]phenol?
4-[(5-ethyl-5H-thieno[3,2-c]isoquinolin-4-yl)sulfonyl]phenol has a molecular weight of 371.48 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-ethyl-5H-thieno[3,2-c]isoquinolin-4-yl)sulfonyl]phenol is sourced from PubChem (CID 11494467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).