5-isopropyl-2-methyl-N-3-pyridinylbenzenesulfonamide
Basic information
- CAS
433689-85-1- Standard SMILES
Cc1ccc(C(C)C)cc1S(=O)(=O)Nc1cccnc1- InChIKey
ICXXCBYZERCKRT-UHFFFAOYSA-N- Molecular formula
- C15H18N2O2S
- Average molar mass
- 290.4 g/mol
- Monoisotopic mass
- 290.10889899
Names & identifiers
- Preferred name
- 5-isopropyl-2-methyl-N-3-pyridinylbenzenesulfonamide
- IUPAC
- 2-methyl-5-propan-2-yl-N-pyridin-3-ylbenzenesulfonamide
Names & synonyms
5-isopropyl-2-methyl-N-3-pyridinylbenzenesulfonamide433689-85-12-methyl-5-propan-2-yl-N-pyridin-3-ylbenzenesulfonamideCambridge id 6963240Oprea1_342345MLS0011635165-isopropyl-2-methyl-N-(3-pyridinyl)benzenesulfonamideCHEMBL1897570DTXSID801332957HMS2844J09AKOS001287961SMR000497309
Show more names
ST50171839AP-263/40917777SR-01000247572SR-01000247572-1BRD-K00784426-001-07-5Z199511482{[2-methyl-5-(methylethyl)phenyl]sulfonyl}-3-pyridylamine2-methyl-5-(propan-2-yl)-N-(pyridin-3-yl)benzene-1-sulfonamide
Database identifiers
- CAS
433689-85-1- PubChem CID
- 801764
- DTXSID
DTXSID801332957- ChEMBL
CHEMBL1897570
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 403
Experimental & physicochemical properties
Solubility3.5 [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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