6,7-dihydroisoquinoline-8-sulfonamide

C9H10N2O2S — CID 172807450

IUPAC6,7-dihydroisoquinoline-8-sulfonamide
SMILESNS(=O)(=O)C1=c2cnccc2=CCC1
InChIInChI=1S/C9H10N2O2S/c10-14(12,13)9-3-1-2-7-4-5-11-6-8(7)9/h2,4-6H,1,3H2,(H2,10,12,13)
InChIKeyRSAQNJPBGGMLDF-UHFFFAOYSA-N
MW210.26 g/mol
LogP-0.95
Rot. Bonds1

About 6,7-dihydroisoquinoline-8-sulfonamide

6,7-dihydroisoquinoline-8-sulfonamide (PubChem CID 172807450) has the molecular formula C9H10N2O2S and a molecular weight of 210.26 g/mol. Its IUPAC name is 6,7-dihydroisoquinoline-8-sulfonamide.

Molecular Properties

Compound Name6,7-dihydroisoquinoline-8-sulfonamide
PubChem CID172807450
Molecular FormulaC9H10N2O2S
Molecular Weight210.26 g/mol
Exact Mass210.05
IUPAC Name6,7-dihydroisoquinoline-8-sulfonamide
SMILESNS(=O)(=O)C1=c2cnccc2=CCC1
InChIInChI=1S/C9H10N2O2S/c10-14(12,13)9-3-1-2-7-4-5-11-6-8(7)9/h2,4-6H,1,3H2,(H2,10,12,13)
InChIKeyRSAQNJPBGGMLDF-UHFFFAOYSA-N
XLogP-0.95
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 5-0.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydroisoquinoline-8-sulfonamide?
The IUPAC name of 6,7-dihydroisoquinoline-8-sulfonamide (CID 172807450) is 6,7-dihydroisoquinoline-8-sulfonamide.
What is the SMILES notation for 6,7-dihydroisoquinoline-8-sulfonamide?
The canonical SMILES for 6,7-dihydroisoquinoline-8-sulfonamide is NS(=O)(=O)C1=c2cnccc2=CCC1.
What is the InChIKey of 6,7-dihydroisoquinoline-8-sulfonamide?
The InChIKey is RSAQNJPBGGMLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S/c10-14(12,13)9-3-1-2-7-4-5-11-6-8(7)9/h2,4-6H,1,3H2,(H2,10,12,13).
What are the key properties of 6,7-dihydroisoquinoline-8-sulfonamide?
6,7-dihydroisoquinoline-8-sulfonamide has a molecular weight of 210.26 g/mol, XLogP of -0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydroisoquinoline-8-sulfonamide is sourced from PubChem (CID 172807450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).