Basic information
- CAS
444151-80-8- Standard SMILES
CN1CCN(c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cn2)CC1- InChIKey
NUQURKLZMVQEGG-UHFFFAOYSA-N- Molecular formula
- C16H19ClN4O2S
- Average molar mass
- 366.9 g/mol
Names & identifiers
- Preferred name
- 4-chloro-N-[6-(4-methylpiperazino)-3-pyridinyl]benzenesulfonamide
- IUPAC
- 4-chloro-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide
- English name
- 4-Chloro-N-[6-(4-methylpiperazino)-3-pyridinyl]benzenesulfonamide
- Molecular formula
- C16H19ClN4O2S
- Molecular weight
- 366.87
Names & synonyms
444151-80-84-chloro-N-[6-(4-methylpiperazino)-3-pyridinyl]benzenesulfonamide4-chloro-N-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]benzene-1-sulfonamide4-chloro-N-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]benzenesulfonamideBionet1_0000584-Chloro-N-(6-(4-methylpiperazin-1-yl)pyridin-3-yl)benzenesulfonamideMixCom2_000215C16H19ClN4O2SOprea1_022431MLS000736361SCHEMBL4686816CHEMBL1352865
Show more names
Benzenesulfonamide, 4-chloro-N-[6-(4-methyl-1-piperazinyl)-3-pyridinyl]-
HMS2631H16MFCD03012849AKOS005079229SMR00033831111R-12024-chloro-N-[6-(4-methylpiperazin-1-yl)-3-pyridyl]benzenesulfonamide
Database identifiers
- CAS
444151-80-8- ChEMBL
CHEMBL1352865
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 73.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 497
Physicochemical properties
- Boiling point
- 543 · 543.0±60.0 °C(Predicted)
- Density
- 1.373 · 1.373±0.06 g/cm3(Predicted)
- pka
- 9.61 · 9.61±0.31(Predicted)
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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