Basic information
- CAS
111469-20-6- Standard SMILES
Cc1ccc(S(=O)(=O)NNC(=O)c2cc[nH]c2)cc1- InChIKey
QHQAWRZCNLXNHW-UHFFFAOYSA-N- Molecular formula
- C12H13N3O3S
- Average molar mass
- 279.32 g/mol
- Monoisotopic mass
- 279.06776246
Names & identifiers
- Preferred name
- N'-(4-Methylbenzene-1-sulfonyl)-1H-pyrrole-3-carbohydrazide
- IUPAC
- N'-(4-methylphenyl)sulfonyl-1H-pyrrole-3-carbohydrazide
Names & synonyms
DTXSID001161148111469-20-6N'-(4-Methylbenzene-1-sulfonyl)-1H-pyrrole-3-carbohydrazide1H-Pyrrole-3-carboxylic acid, 2-[(4-methylphenyl)sulfonyl]hydrazide
Database identifiers
- CAS
111469-20-6- PubChem CID
- 85533976
- DTXSID
DTXSID001161148
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 99.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 410
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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