1,2,3,4-tetrahydroisoquinoline-7-sulfonamide

C9H12N2O2S — CID 5226

IUPAC1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)CNCC2
InChIInChI=1S/C9H12N2O2S/c10-14(12,13)9-2-1-7-3-4-11-6-8(7)5-9/h1-2,5,11H,3-4,6H2,(H2,10,12,13)
InChIKeyUGLLZXSYRBMNOS-UHFFFAOYSA-N
MW212.27 g/mol
LogP-0.02
Rot. Bonds1

About 1,2,3,4-tetrahydroisoquinoline-7-sulfonamide

1,2,3,4-tetrahydroisoquinoline-7-sulfonamide (PubChem CID 5226) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is 1,2,3,4-tetrahydroisoquinoline-7-sulfonamide.

Molecular Properties

Compound Name1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
PubChem CID5226
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Name1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)CNCC2
InChIInChI=1S/C9H12N2O2S/c10-14(12,13)9-2-1-7-3-4-11-6-8(7)5-9/h1-2,5,11H,3-4,6H2,(H2,10,12,13)
InChIKeyUGLLZXSYRBMNOS-UHFFFAOYSA-N
XLogP-0.02
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Isoquinoline, 1,2,3,4-tetrahydro-2-(p-tolylsulfonyl)-
CID 276460
(3R)-3-(fluoromethyl)-N-(3,3,3-trifluoropropyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
CID 11349402
(3R)-3-(Fluoromethyl)-7-(thiomorpholin-4-ylsulfonyl)-1,2,3,4-tetrahydroisoquinoline
CID 11485425
4-[1-(Methylamino)ethyl]benzene-1-sulfonamide
CID 4961836
3-(fluoromethyl)-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
CID 10019263
3-(Fluoromethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
CID 10399576
3-(fluoromethyl)-N-(3,3,3-trifluoropropyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
CID 11394776
7-Methylsulfonyl-1,2,3,4-tetrahydroisoquinoline
CID 23336575
2-[(4-Fluorophenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline
CID 753515
3-(Hydroxymethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
CID 10263774
3-(Fluoromethyl)-7-methanesulfonyl-1,2,3,4-tetrahydroisoquinoline
CID 10610245
7-sulfonyl-THIQ 11
CID 10736630

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydroisoquinoline-7-sulfonamide?
The IUPAC name of 1,2,3,4-tetrahydroisoquinoline-7-sulfonamide (CID 5226) is 1,2,3,4-tetrahydroisoquinoline-7-sulfonamide.
What is the SMILES notation for 1,2,3,4-tetrahydroisoquinoline-7-sulfonamide?
The canonical SMILES for 1,2,3,4-tetrahydroisoquinoline-7-sulfonamide is NS(=O)(=O)c1ccc2c(c1)CNCC2.
What is the InChIKey of 1,2,3,4-tetrahydroisoquinoline-7-sulfonamide?
The InChIKey is UGLLZXSYRBMNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c10-14(12,13)9-2-1-7-3-4-11-6-8(7)5-9/h1-2,5,11H,3-4,6H2,(H2,10,12,13).
What are the key properties of 1,2,3,4-tetrahydroisoquinoline-7-sulfonamide?
1,2,3,4-tetrahydroisoquinoline-7-sulfonamide has a molecular weight of 212.27 g/mol, XLogP of -0.02, 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-7-sulfonamide is sourced from PubChem (CID 5226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).