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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Related Compounds

5-ethyl-4-(4-methoxyphenyl)sulfonyl-5H-thieno[3,2-c]isoquinoline
CID 68579644
4-[(2-bromo-5-ethyl-5H-thieno[3,2-c]isoquinolin-4-yl)sulfonyl]phenol
CID 11698104
4-[(6-ethyl-9-methyl-6H-phenanthridin-5-yl)sulfonyl]phenol
CID 11740455
5-ethyl-4-(4-methoxyphenyl)sulfonyl-2-thiophen-3-yl-5H-thieno[3,2-c]isoquinoline
CID 68579599
4-[(6-ethyl-8-fluoro-2-phenyl-6H-phenanthridin-5-yl)sulfonyl]phenol
CID 10366948
ethyl 2-[5-(4-methylphenyl)sulfonyl-6H-phenanthridin-6-yl]acetate
CID 10717075
1-[5-[6-ethyl-5-(4-hydroxy-3-methylphenyl)sulfonyl-6H-phenanthridin-2-yl]thiophen-2-yl]ethanone
CID 10413774
4-[[6-ethyl-2-[(E)-hept-1-enyl]-6H-phenanthridin-5-yl]sulfonyl]-2-methylphenol
CID 10457661
methyl 2-[5-(4-methylphenyl)sulfonyl-6H-phenanthridin-6-yl]acetate
CID 67435881
5-[6-ethyl-5-(4-hydroxy-3-methylphenyl)sulfonyl-6H-phenanthridin-2-yl]-1H-pyrimidine-2,4-dione
CID 10097062
2,3-diethyl-4-[[6-ethyl-2-(4-phenylphenyl)-6H-phenanthridin-5-yl]sulfonyl]phenol
CID 69392685
[4-[(6-ethyl-8-fluoro-6H-phenanthridin-5-yl)sulfonyl]phenyl] 3,3-dimethylbutanoate
CID 22482317

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).