HRID 1031310As product39 compound library from "Building a Sulfonamide Library by Eco-Friendly Flow Synthesis"
2-Mesitylenesulfonanilide
Basic information
- CAS
25116-87-4- Standard SMILES
Cc1cc(C)c(S(=O)(=O)Nc2ccccc2)c(C)c1- InChIKey
ARIRERZAGIDHFR-UHFFFAOYSA-N- Molecular formula
- C15H17NO2S
- Average molar mass
- 275.4 g/mol
- Monoisotopic mass
- 275.09799996
Names & identifiers
- Preferred name
- 2-Mesitylenesulfonanilide
- IUPAC
- 2,4,6-trimethyl-N-phenylbenzenesulfonamide
- English name
- Benzenesulfonamide,2,4,6-trimethyl-N-phenyl-
- Molecular formula
- C15H17NO2S
- Molecular weight
- 275.36598
Names & synonyms
2-Mesitylenesulfonanilide25116-87-4Benzenesulfonamide,2,4,6-trimethyl-N-phenyl-MLS0026382122,4,6-trimethyl-N-phenylbenzene-1-sulfonamideNSC113662,4,6-trimethyl-N-phenylbenzenesulfonamideN-phenyl mesitylenesulfonamideSCHEMBL812919SCHEMBL3363956SCHEMBL8113065CHEMBL1864330
Show more names
SCHEMBL28676313DTXSID30947979HMS3093H07NSC-11366AKOS001093796SMR001547701DS-006974Z45619496
Database identifiers
- CAS
25116-87-4- PubChem CID
- 223608
- DTXSID
DTXSID30947979- ChEMBL
CHEMBL1864330- Nikkaji
- J3.415.147D
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 54.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 369
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Suppliers
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Related reactions
1 records
Compound notes
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