Agn-PC-0jkhjx
Basic information
- CAS
7645-09-2- Standard SMILES
CNCC(O)c1cccc(O)c1.Nc1ccc(S(=O)(=O)Nc2nccs2)cc1- InChIKey
JOQHXYSRVMHSMA-UHFFFAOYSA-N- Molecular formula
- C18H22N4O4S2
- Average molar mass
- 422.5 g/mol
- Monoisotopic mass
- 422.10824754
Names & identifiers
- Preferred name
- Agn-PC-0jkhjx
- IUPAC
- 4-amino-N-(1,3-thiazol-2-yl)benzenesulfonamide;3-[1-hydroxy-2-(methylamino)ethyl]phenol
Names & synonyms
AGN-PC-0JKHJX7645-09-2DTXSID202747664-Amino-N-(1,3-thiazol-2-yl)benzene-1-sulfonamide--3-[1-hydroxy-2-(methylamino)ethyl]phenol (1/1)
Database identifiers
- CAS
7645-09-2- PubChem CID
- 24285
- DTXSID
DTXSID20274766
Properties
Computed structural properties
- Topological polar surface area
- 174 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 450
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Related reactions
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Compound notes
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