2-(4-Nitrophenyl)sulfonylguanidine
Basic information
- CAS
42249-51-4- Standard SMILES
NC(N)=NS(=O)(=O)c1ccc([N+](=O)[O-])cc1- InChIKey
IIDLMAINNMJNSY-UHFFFAOYSA-N- Molecular formula
- C7H8N4O4S
- Average molar mass
- 244.23 g/mol
- Monoisotopic mass
- 244.02662592
Names & identifiers
- Preferred name
- 2-(4-Nitrophenyl)sulfonylguanidine
- IUPAC
- 2-(4-nitrophenyl)sulfonylguanidine
Names & synonyms
42249-51-4CHEMBL536942-(4-nitrophenyl)sulfonylguanidineNSC229606N-Diaminomethylene-4-nitro-benzenesulfonamideSCHEMBL9282452DTXSID20962398BDBM50087887AKOS024332535NSC-229606N-Carbamimidoyl-4-nitrobenzene-1-sulfonamideN-capital ES, Cyrillicarbamimidoyl-4-nitrobenzenesulfonamide
Database identifiers
- CAS
42249-51-4- PubChem CID
- 313891
- DTXSID
DTXSID20962398- ChEMBL
CHEMBL53694
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 153 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 382
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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