6-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-sulfonamide

C18H23N3O4S — CID 9024283

IUPAC6-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-sulfonamide
SMILESCCOc1cc2c(cc1OCC)CN(c1ccc(S(N)(=O)=O)cn1)CC2
InChIInChI=1S/C18H23N3O4S/c1-3-24-16-9-13-7-8-21(12-14(13)10-17(16)25-4-2)18-6-5-15(11-20-18)26(19,22)23/h5-6,9-11H,3-4,7-8,12H2,1-2H3,(H2,19,22,23)
InChIKeyWXCCRJWFSBBAPR-UHFFFAOYSA-N
MW377.47 g/mol
LogP2.09
Rot. Bonds6

About 6-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-sulfonamide

6-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-sulfonamide (PubChem CID 9024283) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is 6-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-sulfonamide
PubChem CID9024283
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC Name6-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-sulfonamide
SMILESCCOc1cc2c(cc1OCC)CN(c1ccc(S(N)(=O)=O)cn1)CC2
InChIInChI=1S/C18H23N3O4S/c1-3-24-16-9-13-7-8-21(12-14(13)10-17(16)25-4-2)18-6-5-15(11-20-18)26(19,22)23/h5-6,9-11H,3-4,7-8,12H2,1-2H3,(H2,19,22,23)
InChIKeyWXCCRJWFSBBAPR-UHFFFAOYSA-N
XLogP2.09
TPSA94.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-sulfonamide (CID 9024283) is 6-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-sulfonamide is CCOc1cc2c(cc1OCC)CN(c1ccc(S(N)(=O)=O)cn1)CC2.
What is the InChIKey of 6-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-sulfonamide?
The InChIKey is WXCCRJWFSBBAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-3-24-16-9-13-7-8-21(12-14(13)10-17(16)25-4-2)18-6-5-15(11-20-18)26(19,22)23/h5-6,9-11H,3-4,7-8,12H2,1-2H3,(H2,19,22,23).
What are the key properties of 6-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-sulfonamide?
6-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-sulfonamide has a molecular weight of 377.47 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 9024283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).