5-(5-chloro-2-hydroxyphenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-1H-pyrazole-3-carboxamide
Basic information
- CAS
1095544-63-0- Standard SMILES
O=C(NC1CCS(=O)(=O)C1)c1cc(-c2cc(Cl)ccc2O)n[nH]1- InChIKey
MWIKSMPZFPIGKT-UHFFFAOYSA-N- Molecular formula
- C14H14ClN3O4S
- Average molar mass
- 355.8 g/mol
- Monoisotopic mass
- 355.0393548
Names & identifiers
- Preferred name
- 5-(5-chloro-2-hydroxyphenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-1H-pyrazole-3-carboxamide
- IUPAC
- 3-(5-chloro-2-hydroxyphenyl)-N-(1,1-dioxothiolan-3-yl)-1H-pyrazole-5-carboxamide
Names & synonyms
1095544-63-05-(5-chloro-2-hydroxyphenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-1H-pyrazole-3-carboxamideMLS000762456CHEMBL1702960DTXSID201333121HMS2748E08STK570978AKOS002270733AKOS005496549AKOS016170947SMR000415974AS-871/43357581
Show more names
Z12136770133-(5-chloro-2-hydroxyphenyl)-N-(1,1-dioxidotetrahydro-3-thienyl)-1H-pyrazole-5-carboxamide3-(5-chloro-2-hydroxyphenyl)-N-(1,1-dioxothiolan-3-yl)-1H-pyrazole-5-carboxamide3-(5-chloro-2-hydroxyphenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-1H-pyrazole-5-carboxamide3-(5-Chloro-2-hydroxyphenyl)-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-1H-pyrazole-5-carboxamide5-(5-Chloro-2-hydroxy-phenyl)-2H-pyrazole-3-carboxylic acid (1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-amide
Database identifiers
- CAS
1095544-63-0- PubChem CID
- 4860123
- DTXSID
DTXSID201333121- ChEMBL
CHEMBL1702960
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 553
Experimental & physicochemical properties
Solubility5.2 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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