N-(5-Bromoquinolin-8-yl)-2,4,6-trimethylbenzene-1-sulfonamide
Basic information
- CAS
5175-14-4- Standard SMILES
Cc1cc(C)c(S(=O)(=O)Nc2ccc(Br)c3cccnc23)c(C)c1- InChIKey
NCGJQVHKJAFDRS-UHFFFAOYSA-N- Molecular formula
- C18H17BrN2O2S
- Average molar mass
- 405.3 g/mol
- Monoisotopic mass
- 404.01941
Names & identifiers
- Preferred name
- N-(5-Bromoquinolin-8-yl)-2,4,6-trimethylbenzene-1-sulfonamide
- IUPAC
- N-(5-bromoquinolin-8-yl)-2,4,6-trimethylbenzenesulfonamide
- English name
- 2-Oxo-1,2-dihydro-[1,8]naphthyridine-3-carboxylic acid
- Molecular formula
- C9H6N2O3
- Molecular weight
- 190.16
Names & synonyms
N-(5-Bromoquinolin-8-yl)-2,4,6-trimethylbenzene-1-sulfonamideCBMicro_013401Oprea1_734630DTXSID70966048SMSF0004108AKOS001482495CB02962CCG-103364BIM-0013149.P001EU-0067112N-(5-bromo-8-quinolinyl)-2,4,6-trimethylbenzenesulfonamide2-oxo-1H-1,8-naphthyridine-3-carboxylate
Show more names
2-oxo-1H-1,8-naphthyridine-3-carboxylic acid2-hydroxy-1,8-naphthyridine-3-carboxylic acid2-Oxo-1,2-dihydro-[1,8]naphthyridine-3-carboxylic acid1,8-Naphthyridine-3-carboxylic acid, 1,2-dihydro-2-oxo-
Database identifiers
- CAS
5175-14-4- PubChem CID
- 2831992
- DTXSID
DTXSID70966048
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 524
Physicochemical properties
- Melting point
- 360 °C · 360 °C
- Boiling point
- 438.5 · 438.5±55.0 °C(Predicted)
- Density
- 1.56 · 1.56±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 0.19 · 0.19±0.20(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405
- HS Code
- 2933998090 · 2933998090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933998090
- Signal word
- warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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