1-((4-Fluorosulfonylphenylaminocarbonyl)phen-3-yl)-4,6-diamino-2,2-dimethyl-s-triazine hydrochloride
Basic information
- CAS
19188-57-9- Standard SMILES
CC1(C)N=C(N)N=C(N)N1c1cccc(C(=O)Nc2ccc(S(=O)(=O)F)cc2)c1.Cl- InChIKey
UZAKGIYDWJJDBO-UHFFFAOYSA-N- Molecular formula
- C18H20ClFN6O3S
- Average molar mass
- 454.9 g/mol
- Monoisotopic mass
- 454.0990156
Names & identifiers
- Preferred name
- 1-((4-Fluorosulfonylphenylaminocarbonyl)phen-3-yl)-4,6-diamino-2,2-dimethyl-s-triazine hydrochloride
- IUPAC
- 4-[[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzoyl]amino]benzenesulfonyl fluoride;hydrochloride
Names & synonyms
19188-57-9NSC113909NSC 1139091-((4-Fluorosulfonylphenylaminocarbonyl)phen-3-yl)-4,6-diamino-2,2-dimethyl-s-triazine hydrochlorideSulfanilyl fluoride, N-(m-(4,6-diamino-2,2-dimethyl-s-triazin-1-(2H)-yl)benzoyl-, monohydrochlorideNSC-113909CHEMBL1974883DTXSID509408264-(3-(4,2-dimethyl-1,3,5-triazin-1(2H)-yl)benzamido)benzene-1-sulfonyl fluoride hydrochloride4-[3-(4,6-Diimino-2,2-dimethyl-1,3,5-triazinan-1-yl)benzamido]benzene-1-sulfonyl fluoride--hydrogen chloride (1/1)
Database identifiers
- CAS
19188-57-9- PubChem CID
- 456153
- DTXSID
DTXSID50940826- ChEMBL
CHEMBL1974883
Properties
Computed structural properties
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 799
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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