Basic information
- CAS
439108-35-7- Standard SMILES
Cc1cc(C)c(S(=O)(=O)Nc2ccnc(-c3cccnc3)n2)c(C)c1- InChIKey
MXINLYCPNMLGET-UHFFFAOYSA-N- Molecular formula
- C18H18N4O2S
- Average molar mass
- 354.4 g/mol
- Monoisotopic mass
- 354.115047
Names & identifiers
- Preferred name
- 2,4,6-trimethyl-N-[2-(3-pyridinyl)-4-pyrimidinyl]benzenesulfonamide
- IUPAC
- 2,4,6-trimethyl-N-(2-pyridin-3-ylpyrimidin-4-yl)benzenesulfonamide
- English name
- 2,4,6-TRIMETHYL-N-[2-(3-PYRIDINYL)-4-PYRIMIDINYL]BENZENESULFONAMIDE
- Molecular formula
- C18H18N4O2S
- Molecular weight
- 354.43
Names & synonyms
439108-35-72,4,6-trimethyl-N-[2-(3-pyridinyl)-4-pyrimidinyl]benzenesulfonamide2,4,6-trimethyl-N-[2-(pyridin-3-yl)pyrimidin-4-yl]benzene-1-sulfonamide2,4,6-trimethyl-N-(2-pyridin-3-ylpyrimidin-4-yl)benzenesulfonamideBionet1_004814Oprea1_392296MLS000736319CHEMBL1441488HMS582M16HMS2662C24MFCD02661728AKOS005092700
Show more names
Benzenesulfonamide, 2,4,6-trimethyl-N-[2-(3-pyridinyl)-4-pyrimidinyl]-
SMR0003382694R-02822,4,6-trimethyl-N-[2-(3-pyridyl)pyrimidin-4-yl]benzenesulfonamide2,4,6-Trimethyl-N-(2-(pyridin-3-yl)pyrimidin-4-yl)benzenesulfonamide
Database identifiers
- CAS
439108-35-7- PubChem CID
- 1477573
- ChEMBL
CHEMBL1441488
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 93.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 524
Physicochemical properties
- Boiling point
- 484.4 · 484.4±55.0 °C(Predicted)
- Density
- 1.301 · 1.301±0.06 g/cm3(Predicted)
- pka
- 4.73 · 4.73±0.10(Predicted)
- 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
Chemistry & industry
Suppliers1 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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