N-(3,5-dimethylphenyl)thiophene-2-sulfonamide
Basic information
- CAS
6003-54-9- Standard SMILES
Cc1cc(C)cc(NS(=O)(=O)c2cccs2)c1- InChIKey
OTPHHUDMBMHMDE-UHFFFAOYSA-N- Molecular formula
- C12H13NO2S2
- Average molar mass
- 267.4 g/mol
- Monoisotopic mass
- 267.038771
Names & identifiers
- Preferred name
- N-(3,5-dimethylphenyl)thiophene-2-sulfonamide
- IUPAC
- N-(3,5-dimethylphenyl)thiophene-2-sulfonamide
Names & synonyms
N-(3,5-dimethylphenyl)thiophene-2-sulfonamide6003-54-9N-(3,5-dimethylphenyl)-2-thiophenesulfonamideCambridge id 6003549Oprea1_010024Oprea1_459690MLS001217444CHEMBL1453745Thiophene-2-sulfonic acid (3,5-dimethyl-phenyl)-amideDTXSID30975454HMS2904C06STL137303
Show more names
AKOS000383369SMR000608408
Database identifiers
- CAS
6003-54-9- PubChem CID
- 765841
- DTXSID
DTXSID30975454- ChEMBL
CHEMBL1453745
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 82.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 340
Experimental & physicochemical properties
Solubility>40.1 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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