7-methoxyisoquinoline-1-sulfonamide

C10H10N2O3S — CID 106541871

IUPAC7-methoxyisoquinoline-1-sulfonamide
SMILESCOc1ccc2ccnc(S(N)(=O)=O)c2c1
InChIInChI=1S/C10H10N2O3S/c1-15-8-3-2-7-4-5-12-10(9(7)6-8)16(11,13)14/h2-6H,1H3,(H2,11,13,14)
InChIKeyWPGGSHXOHGRPDP-UHFFFAOYSA-N
MW238.27 g/mol
LogP0.89
Rot. Bonds2

About 7-methoxyisoquinoline-1-sulfonamide

7-methoxyisoquinoline-1-sulfonamide (PubChem CID 106541871) has the molecular formula C10H10N2O3S and a molecular weight of 238.27 g/mol. Its IUPAC name is 7-methoxyisoquinoline-1-sulfonamide.

Molecular Properties

Compound Name7-methoxyisoquinoline-1-sulfonamide
PubChem CID106541871
Molecular FormulaC10H10N2O3S
Molecular Weight238.27 g/mol
Exact Mass238.04
IUPAC Name7-methoxyisoquinoline-1-sulfonamide
SMILESCOc1ccc2ccnc(S(N)(=O)=O)c2c1
InChIInChI=1S/C10H10N2O3S/c1-15-8-3-2-7-4-5-12-10(9(7)6-8)16(11,13)14/h2-6H,1H3,(H2,11,13,14)
InChIKeyWPGGSHXOHGRPDP-UHFFFAOYSA-N
XLogP0.89
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-hydroxyisoquinoline-1-sulfonamide
CID 106541870
1-ethyl-7-methoxyisoquinoline
CID 119092688
3-(7-methoxyisoquinolin-1-yl)pyridine-2,6-diamine
CID 122443315
7-methoxy-1-phenylisoquinoline
CID 86087026
N'-(2-aminoethyl)-N'-(7-methoxyisoquinolin-1-yl)ethane-1,2-diamine
CID 106542337
1-(7-methoxyisoquinolin-1-yl)azetidin-3-amine
CID 106540757
3-(7-methoxyisoquinolin-1-yl)cyclobutan-1-amine
CID 116995308
methyl 2-[(7-methoxyisoquinolin-1-yl)amino]acetate
CID 106537314
4-methoxy-10,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one
CID 10563407
7-methoxy-N-(3-methylbutan-2-yl)isoquinolin-1-amine
CID 106537442
2-N-(7-methoxyisoquinolin-1-yl)-4-methylpentane-1,2-diamine
CID 106540646
ethyl (E)-3-(7-methoxyisoquinolin-1-yl)prop-2-enoate
CID 82579903

Frequently Asked Questions

What is the IUPAC name of 7-methoxyisoquinoline-1-sulfonamide?
The IUPAC name of 7-methoxyisoquinoline-1-sulfonamide (CID 106541871) is 7-methoxyisoquinoline-1-sulfonamide.
What is the SMILES notation for 7-methoxyisoquinoline-1-sulfonamide?
The canonical SMILES for 7-methoxyisoquinoline-1-sulfonamide is COc1ccc2ccnc(S(N)(=O)=O)c2c1.
What is the InChIKey of 7-methoxyisoquinoline-1-sulfonamide?
The InChIKey is WPGGSHXOHGRPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3S/c1-15-8-3-2-7-4-5-12-10(9(7)6-8)16(11,13)14/h2-6H,1H3,(H2,11,13,14).
What are the key properties of 7-methoxyisoquinoline-1-sulfonamide?
7-methoxyisoquinoline-1-sulfonamide has a molecular weight of 238.27 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxyisoquinoline-1-sulfonamide is sourced from PubChem (CID 106541871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).