Basic information
- CAS
5752-04-5- Standard SMILES
Cn1c(NS(=O)(=O)c2ccc(N)cc2)nc2c(Cl)nc(Cl)nc21- InChIKey
WPIVWAZHVMSBHX-UHFFFAOYSA-N- Molecular formula
- C12H10Cl2N6O2S
- Average molar mass
- 373.2 g/mol
- Monoisotopic mass
- 371.9963001
Names & identifiers
- Preferred name
- Sulfanilamide, N(sup 1)-(2,6-dichloro-9-methyl-8-purinyl)-
- IUPAC
- 4-amino-N-(2,6-dichloro-9-methylpurin-8-yl)benzenesulfonamide
- English name
- 4-Amino-N-(2,6-dichloro-9-methyl-9H-purin-8-yl)benzenesulfonamide
- Molecular weight
- 0
Names & synonyms
5752-04-5Sulfanilamide, N(sup 1)-(2,6-dichloro-9-methyl-8-purinyl)-RefChem:1099173BRN 1176680N(sup 1)-(2,6-Dichloro-9-methyl-8-purinyl)sulphanilamideDTXSID309730564-Amino-N-(2,6-dichloro-9-methyl-9H-purin-8-yl)benzene-1-sulfonamide5-26-16-00091 (Beilstein Handbook Reference)4-Amino-N-(2,6-dichloro-9-methyl-9H-purin-8-yl)benzenesulfonamide
Database identifiers
- CAS
5752-04-5- PubChem CID
- 79825
- DTXSID
DTXSID30973056- Nikkaji
- J49.520D
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 524
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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