Basic information
- CAS
49638-47-3- Standard SMILES
CN(C)N=Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1- InChIKey
XYKFAINPIJYCGL-UHFFFAOYSA-N- Molecular formula
- C12H14N6O2S
- Average molar mass
- 306.35 g/mol
- Monoisotopic mass
- 306.08989488
Names & identifiers
- Preferred name
- 4-[(1E)-3,3-Dimethyltriaz-1-en-1-yl]-N-(pyrimidin-2-yl)benzene-1-sulfonamide
- IUPAC
- 4-(dimethylaminodiazenyl)-N-pyrimidin-2-ylbenzenesulfonamide
Names & synonyms
49638-47-3NSC166759CHEMBL3250778DTXSID80304674NSC-166759Benzenesulfonamide,3-dimethyl-1-triazenyl)-N-2-pyrimidinyl-4-[(1E)-3,3-Dimethyltriaz-1-en-1-yl]-N-(pyrimidin-2-yl)benzene-1-sulfonamide
Database identifiers
- CAS
49638-47-3- PubChem CID
- 296555
- DTXSID
DTXSID80304674- ChEMBL
CHEMBL3250778
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 433
Experimental & physicochemical properties
LogP0.45
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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