1-(3-Chloro-4-propan-2-ylsulfonylthiophen-2-yl)-3-[3-(trifluoromethyl)phenyl]urea

HCID 2820008

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Basic information

CAS: 4761-87-9
Standard SMILES: CC(C)S(=O)(=O)c1csc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1Cl
InChIKey: DKSIETXDLFBFRK-UHFFFAOYSA-N
Molecular formula: C15H14ClF3N2O3S2
Average molar mass: 426.9 g/mol
Monoisotopic mass: 426.0086468

Names & identifiers

Preferred name: 1-(3-Chloro-4-propan-2-ylsulfonylthiophen-2-yl)-3-[3-(trifluoromethyl)phenyl]urea
IUPAC: 1-(3-chloro-4-propan-2-ylsulfonylthiophen-2-yl)-3-[3-(trifluoromethyl)phenyl]urea

Names & synonyms

1-(3-chloro-4-propan-2-ylsulfonylthiophen-2-yl)-3-[3-(trifluoromethyl)phenyl]urea4761-87-9ZINC01037736DTXSID70384844DKSIETXDLFBFRK-UHFFFAOYSA-NN-[3-Chloro-4-(propane-2-sulfonyl)thiophen-2-yl]-N'-[3-(trifluoromethyl)phenyl]urea

Database identifiers

CAS: 4761-87-9
PubChem CID: 2820008
DTXSID: DTXSID70384844

Properties

Computed structural properties

XLogP: 4
Topological polar surface area: 112 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 4
Heavy atoms: 26
Formal charge: 0
Complexity: 610

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