N-[(4-Chlorobenzene-1-sulfonyl)carbamoyl]benzenecarbothioamide
Basic information
- CAS
61720-79-4- Standard SMILES
O=C(NC(=S)c1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1- InChIKey
YSOHNHLWAWEWKB-UHFFFAOYSA-N- Molecular formula
- C14H11ClN2O3S2
- Average molar mass
- 354.8 g/mol
- Monoisotopic mass
- 353.9899623
Names & identifiers
- Preferred name
- N-[(4-Chlorobenzene-1-sulfonyl)carbamoyl]benzenecarbothioamide
- IUPAC
- 1-(benzenecarbonothioyl)-3-(4-chlorophenyl)sulfonylurea
Names & synonyms
61720-79-4NSC266337DTXSID10411108N-[(4-Chlorobenzene-1-sulfonyl)carbamoyl]benzenecarbothioamideNSC-266337DS-010125BENZENECARBOTHIOAMIDE,N-[[[(4-CHLOROPHENYL)SULFONYL]AMINO]CARBONYL]-
Database identifiers
- CAS
61720-79-4- PubChem CID
- 5221899
- DTXSID
DTXSID10411108
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 505
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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