1,2,3,4-tetrahydroisoquinoline-5-sulfonamide;hydrochloride

C9H13ClN2O2S — CID 112756658

IUPAC1,2,3,4-tetrahydroisoquinoline-5-sulfonamide;hydrochloride
SMILESCl.NS(=O)(=O)c1cccc2c1CCNC2
InChIInChI=1S/C9H12N2O2S.ClH/c10-14(12,13)9-3-1-2-7-6-11-5-4-8(7)9;/h1-3,11H,4-6H2,(H2,10,12,13);1H
InChIKeyJKOIZSJCJAXEHK-UHFFFAOYSA-N
MW248.73 g/mol
LogP0.40
Rot. Bonds1

About 1,2,3,4-tetrahydroisoquinoline-5-sulfonamide;hydrochloride

1,2,3,4-tetrahydroisoquinoline-5-sulfonamide;hydrochloride (PubChem CID 112756658) has the molecular formula C9H13ClN2O2S and a molecular weight of 248.73 g/mol. Its IUPAC name is 1,2,3,4-tetrahydroisoquinoline-5-sulfonamide;hydrochloride.

Molecular Properties

Compound Name1,2,3,4-tetrahydroisoquinoline-5-sulfonamide;hydrochloride
PubChem CID112756658
Molecular FormulaC9H13ClN2O2S
Molecular Weight248.73 g/mol
Exact Mass248.04
IUPAC Name1,2,3,4-tetrahydroisoquinoline-5-sulfonamide;hydrochloride
SMILESCl.NS(=O)(=O)c1cccc2c1CCNC2
InChIInChI=1S/C9H12N2O2S.ClH/c10-14(12,13)9-3-1-2-7-6-11-5-4-8(7)9;/h1-3,11H,4-6H2,(H2,10,12,13);1H
InChIKeyJKOIZSJCJAXEHK-UHFFFAOYSA-N
XLogP0.40
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.73
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydroisoquinoline-5-sulfonamide;hydrochloride?
The IUPAC name of 1,2,3,4-tetrahydroisoquinoline-5-sulfonamide;hydrochloride (CID 112756658) is 1,2,3,4-tetrahydroisoquinoline-5-sulfonamide;hydrochloride.
What is the SMILES notation for 1,2,3,4-tetrahydroisoquinoline-5-sulfonamide;hydrochloride?
The canonical SMILES for 1,2,3,4-tetrahydroisoquinoline-5-sulfonamide;hydrochloride is Cl.NS(=O)(=O)c1cccc2c1CCNC2.
What is the InChIKey of 1,2,3,4-tetrahydroisoquinoline-5-sulfonamide;hydrochloride?
The InChIKey is JKOIZSJCJAXEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S.ClH/c10-14(12,13)9-3-1-2-7-6-11-5-4-8(7)9;/h1-3,11H,4-6H2,(H2,10,12,13);1H.
What are the key properties of 1,2,3,4-tetrahydroisoquinoline-5-sulfonamide;hydrochloride?
1,2,3,4-tetrahydroisoquinoline-5-sulfonamide;hydrochloride has a molecular weight of 248.73 g/mol, XLogP of 0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydroisoquinoline-5-sulfonamide;hydrochloride is sourced from PubChem (CID 112756658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).