4-(4-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)piperazine-1-carbothioamide
Basic information
- CAS
701924-62-1- Standard SMILES
O=S(=O)(c1ccc(Cl)cc1)N1CCN(C(=S)NCc2ccco2)CC1- InChIKey
XWLQYIAABSEIQV-UHFFFAOYSA-N- Molecular formula
- C16H18ClN3O3S2
- Average molar mass
- 399.9 g/mol
- Monoisotopic mass
- 399.0478115
Names & identifiers
- Preferred name
- 4-(4-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)piperazine-1-carbothioamide
- IUPAC
- 4-(4-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)piperazine-1-carbothioamide
Names & synonyms
701924-62-14-(4-chlorobenzenesulfonyl)-N-[(furan-2-yl)methyl]piperazine-1-carbothioamide4-(4-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)piperazine-1-carbothioamideMMV000858SR-01000275727ZINC01118762CBKinase1_006864CBKinase1_019264GNF-Pf-4422CHEMBL611077DTXSID601346023EBC-14765
Show more names
STK456478AKOS003310307PD061551ST50836435EN300-18166005SR-01000275727-1SR-01000275727-2BRD-K76426915-001-01-3
Database identifiers
- CAS
701924-62-1- PubChem CID
- 1295876
- DTXSID
DTXSID601346023- ChEMBL
CHEMBL611077
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 553
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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