Basic information
- CAS
622799-38-6- Standard SMILES
Cc1ccnc(NS(=O)(=O)c2ccc(Cl)nc2)c1- InChIKey
YAQYVLHZWCEJFU-UHFFFAOYSA-N- Molecular formula
- C11H10ClN3O2S
- Average molar mass
- 283.73 g/mol
- Monoisotopic mass
- 283.0182254
Names & identifiers
- Preferred name
- 6-chloro-N-(4-methylpyridin-2-yl)pyridine-3-sulfonamide
- IUPAC
- 6-chloro-N-(4-methyl-2-pyridinyl)pyridine-3-sulfonamide
- English name
- 6-chloro-N-(4-methyl-2-pyridinyl)-3-pyridinesulfonamide
- Molecular formula
- C11H10ClN3O2S
- Molecular weight
- 283.73
Names & synonyms
6-chloro-N-(4-methylpyridin-2-yl)pyridine-3-sulfonamide622799-38-66-chloro-N-(4-methyl-2-pyridinyl)-3-pyridinesulfonamideAF-399/42309686MLS000778690CHEMBL1433132DTXSID001332903HMS2757H05STL343575AKOS000215815SMR0004154806-Chloro-pyridine-3-sulfonic acid (4-methyl-pyridin-2-yl)-amide
Show more names
3-Pyridinesulfonamide, 6-chloro-N-(4-methyl-2-pyridinyl)-
Database identifiers
- CAS
622799-38-6- PubChem CID
- 3678077
- DTXSID
DTXSID001332903- ChEMBL
CHEMBL1433132
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 80.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 371
Experimental & physicochemical properties
Solubility26.9 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 470.7 · 470.7±55.0 °C(Predicted)
- Density
- 1.468 · 1.468±0.06 g/cm3(Predicted)
- pka
- 6.99 · 6.99±0.27(Predicted)
Chemistry & industry
Suppliers2 total
Interbioscreen Ltd.[email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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