4-(methanesulfonamido)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
Basic information
- CAS
333443-02-0- Standard SMILES
Cc1ccnc(NS(=O)(=O)c2ccc(NS(C)(=O)=O)cc2)n1- InChIKey
AELMOHCVVIXBFW-UHFFFAOYSA-N- Molecular formula
- C12H14N4O4S2
- Average molar mass
- 342.4 g/mol
- Monoisotopic mass
- 342.04564729
Names & identifiers
- Preferred name
- 4-(methanesulfonamido)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
- IUPAC
- 4-(methanesulfonamido)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
Names & synonyms
333443-02-0ZINC294269N-(4-methyl-2-pyrimidinyl)-4-[(methylsulfonyl)amino]benzenesulfonamide4-[(Methanesulfonyl)amino]-N-(4-methylpyrimidin-2-yl)benzene-1-sulfonamide4-(methanesulfonamido)-N-(4-methylpyrimidin-2-yl)benzenesulfonamideCBKinase1_000135CBKinase1_012535Oprea1_572759MLS000715349CHEMBL1404814DTXSID801332969HMS2748N05
Show more names
MFCD00586023STK006552AKOS000644217SMR000275328ZINC000000294269ST50697947Cc1ccnc(n1)NS(=O)(=O)c1ccc(cc1)NS(=O)(=O)CBRD-K36879580-001-01-6
Database identifiers
- CAS
333443-02-0- PubChem CID
- 792707
- DTXSID
DTXSID801332969- ChEMBL
CHEMBL1404814
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 559
Experimental & physicochemical properties
Solubility47.8 [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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