Basic information
- CAS
209954-52-9- Standard SMILES
Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2cccc(C(=N)N)c2)n1- InChIKey
APFKCRTWNKCURW-UHFFFAOYSA-N- Molecular formula
- C24H22N6O3S
- Average molar mass
- 474.5 g/mol
- Monoisotopic mass
- 474.14740976
Names & identifiers
- Preferred name
- 1-(3-carbamimidoylphenyl)-3-methyl-N-[4-(2-sulfamoylphenyl)phenyl]-1H-pyrazole-5-carboxamide
- IUPAC
- 2-(3-carbamimidoylphenyl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide
Names & synonyms
CHEMBL37251SN429SN-4293UG7N37FYUSCHEMBL14534861SCHEMBL31060489BDBM127511H-Pyrazole-5-carboxamide,1-[3-(aminoiminomethyl)phenyl]-N-[2'-(aminosulfonyl)[1,1'-biphenyl]-4-yl]-3-methyl-2-(3-Carbamimidoyl)-5-(methyl-N-(4-(2-sulfamoylphenyl)phenyl)pyrazole-3-carboxamide1-(3-carbamimidoylphenyl)-3-methyl-N-[4-(2-sulfamoylphenyl)phenyl]-1H-pyrazole-5-carboxamide
Database identifiers
- CAS
209954-52-9- PubChem CID
- 9869498
- ChEMBL
CHEMBL37251- UNII
- 3UG7N37FYU
- Nikkaji
- J1.497.933F
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 165 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 838
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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