[2-[(3,5-Dichloro-4-methylpyridin-2-yl)amino]-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate
Basic information
- CAS
853727-32-9- Standard SMILES
COc1ccc(S(N)(=O)=O)cc1C(=O)OCC(=O)Nc1ncc(Cl)c(C)c1Cl- InChIKey
VWUFSKQQASRKMZ-UHFFFAOYSA-N- Molecular formula
- C16H15Cl2N3O6S
- Average molar mass
- 448.3 g/mol
- Monoisotopic mass
- 447.0058618
Names & identifiers
- Preferred name
- [2-[(3,5-Dichloro-4-methylpyridin-2-yl)amino]-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate
- IUPAC
- [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate
Names & synonyms
[2-[(3,5-dichloro-4-methylpyridin-2-yl)amino]-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoateMLS002248721CHEMBL1893005DTXSID301330332HMS3086H24AKOS033589442853727-32-9SMR001316181Z178616782-[(3,5-Dichloro-4-methylpyridin-2-yl)amino]-2-oxoethyl 2-methoxy-5-sulfamoylbenzoate
Database identifiers
- CAS
853727-32-9- PubChem CID
- 4969723
- DTXSID
DTXSID301330332- ChEMBL
CHEMBL1893005
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 674
Experimental & physicochemical properties
Solubility24 [ug/mL] (The mean of the results at pH 7.4)
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Related reactions
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Compound notes
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