N-benzyl-N-[3-(9H-carbazol-9-yl)-2-hydroxypropyl]-4-methylbenzenesulfonamide
Basic information
- CAS
321689-21-8- Standard SMILES
Cc1ccc(S(=O)(=O)N(Cc2ccccc2)CC(O)Cn2c3ccccc3c3ccccc32)cc1- InChIKey
DYDLOWGVDJCVOV-UHFFFAOYSA-N- Molecular formula
- C29H28N2O3S
- Average molar mass
- 484.6 g/mol
- Monoisotopic mass
- 484.18206393
Names & identifiers
- Preferred name
- N-benzyl-N-[3-(9H-carbazol-9-yl)-2-hydroxypropyl]-4-methylbenzenesulfonamide
- IUPAC
- N-benzyl-N-(3-carbazol-9-yl-2-hydroxypropyl)-4-methylbenzenesulfonamide
- English name
- N-benzyl-N-(3-carbazol-9-yl-2-hydroxypropyl)-4-methylbenzenesulfonamide
- Molecular formula
- C29H28N2O3S
- Molecular weight
- 484.61
Names & synonyms
CHEMBL4218068N-benzyl-N-[3-(9H-carbazol-9-yl)-2-hydroxypropyl]-4-methylbenzenesulfonamideOprea1_485027Oprea1_509789N-BENZYL-N-[3-(9H-CARBAZOL-9-YL)-2-HYDROXYPROPYL]-4-METHYLBENZENE-1-SULFONAMIDEBDBM50451413STK862299AKOS000581599AKOS016323891EBC-609922321689-21-8ST50243122
Show more names
N-benzyl-N-(3-carbazol-9-yl-2-hydroxypropyl)-4-methylbenzenesulfonamideN-BENZYL-N-(3-(9H-CARBAZOL-9-YL)-2-HYDROXYPROPYL)-4-METHYLBENZENESULFONAMIDEBenzenesulfonamide, N-[3-(9H-carbazol-9-yl)-2-hydroxypropyl]-4-methyl-N-(phenylmethyl)-
SR-01000422019SR-01000422019-1Z56847682(3-carbazol-9-yl-2-hydroxypropyl)[(4-methylphenyl)sulfonyl]benzylamineN-(3-(9H-carbazol-9-yl)-2-hydroxypropyl)-N-benzyl-4-methylbenzenesulfonamide
Database identifiers
- CAS
321689-21-8- PubChem CID
- 3122846
- ChEMBL
CHEMBL4218068- EC Number
- 141-192-7
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 70.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 747
Physicochemical properties
- Boiling point
- 663.8 · 663.8±65.0 °C(Predicted)
- Density
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- pka
- 13.18 · 13.18±0.20(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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