1,2,3,4-Tetrahydroisoquinoline-7-sulfonamide
Basic information
- CAS
31404-61-2- Standard SMILES
NS(=O)(=O)c1ccc2c(c1)CNCC2- InChIKey
UGLLZXSYRBMNOS-UHFFFAOYSA-N- Molecular formula
- C9H12N2O2S
- Average molar mass
- 212.27 g/mol
- Monoisotopic mass
- 212.0619488
Overview
structure
Names & identifiers
- Preferred name
- 1,2,3,4-Tetrahydroisoquinoline-7-sulfonamide
- IUPAC
- 1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
- English name
- 1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
- Molecular formula
- C9H12N2O2S
- Molecular weight
- 212.27
Names & synonyms
1,2,3,4-Tetrahydroisoquinoline-7-sulfonamide31404-61-2Skf 296617ASE44P9QJSKF-29661DTXSID201853287-Isoquinolinesulfonamide, 1,2,3,4-tetrahydro-RefChem:71321DTXCID301078191,2,3,4-Tetrahydro-7-isoquinolinesulfonamideMFCD115771011,2,3,4-TETRAHYDRO-ISOQUINOLINE-7-SULFONIC ACID AMIDE
Show more names
CHEMBL267171hnnSK&F-29661sk&f 29661SK-29661UNII-7ASE44P9QJSKFSCHEMBL1487047
Database identifiers
- CAS
31404-61-2- PubChem CID
- 5226
- DTXSID
DTXSID20185328- ChEMBL
CHEMBL26717- UNII
- 7ASE44P9QJ
- Nikkaji
- J395.227D
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 80.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 296
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Boiling point
- 421.3 · 421.3±55.0 °C(Predicted)
- Density
- 1.316 · 1.316±0.06 g/cm3(Predicted)
- pka
- 10.21 · 10.21±0.20(Predicted)
- FDA UNII
- 7 ASE44P9QJ · 7ASE44P9QJ
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Related reactions
4 records
Compound notes
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