Basic information
- CAS
21268-02-0- Standard SMILES
NS(=O)(=O)c1ccc(CNc2ncnc3c2ncn3Cc2ccc(S(N)(=O)=O)cc2)cc1- InChIKey
NWRGFUOYPBTKEC-UHFFFAOYSA-N- Molecular formula
- C19H19N7O4S2
- Average molar mass
- 473.5 g/mol
- Monoisotopic mass
- 473.09399446
Names & identifiers
- Preferred name
- 4-({6-[(4-Sulfamoylbenzyl)amino]-9h-purin-9-yl}methyl)benzenesulfonamide
- IUPAC
- 4-[[[9-[(4-sulfamoylphenyl)methyl]purin-6-yl]amino]methyl]benzenesulfonamide
Names & synonyms
21268-02-04-(((9-(4-Sulfamoylbenzyl)-9H-purin-6-yl)amino)methyl)benzenesulfonamide4-({6-[(4-sulfamoylbenzyl)amino]-9h-purin-9-yl}methyl)benzenesulfonamideNSC1124594-[[[9-[(4-sulfamoylphenyl)methyl]purin-6-yl]amino]methyl]benzenesulfonamideDTXSID60296886NWRGFUOYPBTKEC-UHFFFAOYSA-NN,9-Bis[p-sulfamoylbenzyl]adenineNSC-112459DS-0052004-[(6-([4-(Aminosulfonyl)benzyl]amino)-9H-purin-9-yl)methyl]benzenesulfonamide #4-[(6-{[(4-Sulfamoylphenyl)methyl]amino}-9H-purin-9-yl)methyl]benzene-1-sulfonamide
Database identifiers
- CAS
21268-02-0- PubChem CID
- 270232
- DTXSID
DTXSID60296886
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 193 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 829
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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