Methyl 3-[(4-chlorophenyl)sulfamoyl]thiophene-2-carboxylate
Basic information
- CAS
496051-36-6- Standard SMILES
COC(=O)c1sccc1S(=O)(=O)Nc1ccc(Cl)cc1- InChIKey
CPGKXRAQZQULSF-UHFFFAOYSA-N- Molecular formula
- C12H10ClNO4S2
- Average molar mass
- 331.8 g/mol
- Monoisotopic mass
- 330.9739778
Names & identifiers
- Preferred name
- Methyl 3-[(4-chlorophenyl)sulfamoyl]thiophene-2-carboxylate
- IUPAC
- methyl 3-[(4-chlorophenyl)sulfamoyl]thiophene-2-carboxylate
Names & synonyms
methyl 3-[(4-chlorophenyl)sulfamoyl]thiophene-2-carboxylate496051-36-6Maybridge3_001598MLS000849971SCHEMBL3912876CHEMBL1867947DTXSID401332917HMS1435I14HMS2777B22STL100319AKOS004122010IDI1_012985
Show more names
SMR000455989VU0337140-2F3222-0440methyl 3-[(4-chloroanilino)sulfonyl]thiophene-2-carboxylatemethyl 3-(N-(4-chlorophenyl)sulfamoyl)thiophene-2-carboxylate
Database identifiers
- CAS
496051-36-6- PubChem CID
- 2808792
- DTXSID
DTXSID401332917- ChEMBL
CHEMBL1867947
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 443
Experimental & physicochemical properties
Solubility13 [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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