Basic information
- Standard SMILES
C=CS(=O)(=O)CCNc1nc(Cl)nc(Nc2ccc(S(=O)(=O)O)c(N)c2)n1- InChIKey
UPFQSSFFSZYHHE-UHFFFAOYSA-N- Molecular formula
- C13H15ClN6O5S2
- Average molar mass
- 434.9 g/mol
- Monoisotopic mass
- 434.0233876
Names & identifiers
- Preferred name
- 2-(3'-Amino-4'-sulfophenylamino)-4-chloro-6-(beta-vinylsulfonylethylamino)-1,3,5-triazine
- IUPAC
- 2-amino-4-[[4-chloro-6-(2-ethenylsulfonylethylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonic acid
Names & synonyms
SCHEMBL10391720UPFQSSFFSZYHHE-UHFFFAOYSA-N2-(3'-amino-4'-sulfophenylamino)-4-chloro-6-(beta-vinylsulfonylethylamino)-1,3,5-triazine
Database identifiers
- PubChem CID
- 19862891
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 194 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 710
Related reactions
1 records
Compound notes
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