Basic information
- CAS
91088-14-1- Standard SMILES
Cc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1- InChIKey
VAPSCRDGGQHWOG-UHFFFAOYSA-N- Molecular formula
- C11H12N2O3S
- Average molar mass
- 252.29 g/mol
- Monoisotopic mass
- 252.05686342
Names & identifiers
- Preferred name
- 4-methyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
- IUPAC
- 4-methyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
Names & synonyms
4-methyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide91088-14-14-methyl-N-(5-methyl-1,2-oxazol-3-yl)benzene-1-sulfonamideMaybridge3_000172Oprea1_669571Oprea1_871275MLS0012192974-Methyl-N-(5-methyl-isoxazol-3-yl)-benzenesulfonamideCHEMBL1471548SCHEMBL12879697DTXSID601322031HMS1431H18
Show more names
HMS2897F11STK417000AKOS000646835IDI1_011559SMR000611553EU-0076335ST502691204-methyl-N-(5-methylisoxazol-3-yl)benzenesulfonamide
Database identifiers
- CAS
91088-14-1- PubChem CID
- 705643
- DTXSID
DTXSID601322031- ChEMBL
CHEMBL1471548- Nikkaji
- J2.111.379D
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 80.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 344
Experimental & physicochemical properties
Solubility28.1 [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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