4-[[3-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]methylamino]benzenesulfonamide; ethanesulfonic acid

HCID 339964

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Basic information

CAS: 70743-59-8
Standard SMILES: CC1(C)N=C(N)N=C(N)N1c1cccc(CNc2ccc(S(N)(=O)=O)cc2)c1.CCS(=O)(=O)O
InChIKey: ZIGBCIXRKXHFOD-UHFFFAOYSA-N
Molecular formula: C20H29N7O5S2
Average molar mass: 511.6 g/mol
Monoisotopic mass: 511.1671594

Names & identifiers

Preferred name: 4-[[3-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]methylamino]benzenesulfonamide; ethanesulfonic acid
IUPAC: 4-[[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]methylamino]benzenesulfonamide;ethanesulfonic acid

Names & synonyms

70743-59-8NSC3688924-[[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]methylamino]benzenesulfonamide4-[[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]methylamino]benzenesulfonamide; ethanesulfonic acidDTXSID10321051NSC-368892DS-014706Ethanesulfonic acid--4-({[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]methyl}amino)benzene-1-sulfonamide (1/1)

Database identifiers

CAS: 70743-59-8
PubChem CID: 339964
DTXSID: DTXSID10321051

Properties

Computed structural properties

Topological polar surface area: 223 Å²
Hydrogen bond donors: 5
Hydrogen bond acceptors: 8
Rotatable bonds: 6
Heavy atoms: 34
Formal charge: 0
Complexity: 826

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