3,4-dihydro-1H-isoquinoline-2-sulfonamide

C9H12N2O2S — CID 14787907

IUPAC3,4-dihydro-1H-isoquinoline-2-sulfonamide
SMILESNS(=O)(=O)N1CCc2ccccc2C1
InChIInChI=1S/C9H12N2O2S/c10-14(12,13)11-6-5-8-3-1-2-4-9(8)7-11/h1-4H,5-7H2,(H2,10,12,13)
InChIKeyRERPSPPBSSELBR-UHFFFAOYSA-N
MW212.27 g/mol
LogP0.25
Rot. Bonds1

About 3,4-dihydro-1H-isoquinoline-2-sulfonamide

3,4-dihydro-1H-isoquinoline-2-sulfonamide (PubChem CID 14787907) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinoline-2-sulfonamide.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinoline-2-sulfonamide
PubChem CID14787907
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Name3,4-dihydro-1H-isoquinoline-2-sulfonamide
SMILESNS(=O)(=O)N1CCc2ccccc2C1
InChIInChI=1S/C9H12N2O2S/c10-14(12,13)11-6-5-8-3-1-2-4-9(8)7-11/h1-4H,5-7H2,(H2,10,12,13)
InChIKeyRERPSPPBSSELBR-UHFFFAOYSA-N
XLogP0.25
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The IUPAC name of 3,4-dihydro-1H-isoquinoline-2-sulfonamide (CID 14787907) is 3,4-dihydro-1H-isoquinoline-2-sulfonamide.
What is the SMILES notation for 3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The canonical SMILES for 3,4-dihydro-1H-isoquinoline-2-sulfonamide is NS(=O)(=O)N1CCc2ccccc2C1.
What is the InChIKey of 3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The InChIKey is RERPSPPBSSELBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c10-14(12,13)11-6-5-8-3-1-2-4-9(8)7-11/h1-4H,5-7H2,(H2,10,12,13).
What are the key properties of 3,4-dihydro-1H-isoquinoline-2-sulfonamide?
3,4-dihydro-1H-isoquinoline-2-sulfonamide has a molecular weight of 212.27 g/mol, XLogP of 0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isoquinoline-2-sulfonamide is sourced from PubChem (CID 14787907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).