Basic information
- CAS
92555-07-2- Standard SMILES
CC(=O)Nc1ccc(S(=O)(=O)n2cnc3ccccc32)cc1- InChIKey
VKHBANSWZNQPDL-UHFFFAOYSA-N- Molecular formula
- C15H13N3O3S
- Average molar mass
- 315.3 g/mol
- Monoisotopic mass
- 315.06776246
Names & identifiers
- Preferred name
- N-[4-(benzimidazol-1-ylsulfonyl)phenyl]acetamide
- IUPAC
- N-[4-(benzimidazol-1-ylsulfonyl)phenyl]acetamide
- English name
- N-[4-(benzimidazol-1-ylsulfonyl)phenyl]acetamide
- Molecular formula
- C15H13N3O3S
- Molecular weight
- 315.35
Names & synonyms
CHEMBL1729716N-[4-(1H-benzimidazol-1-ylsulfonyl)phenyl]acetamideN-[4-(Benzoimidazole-1-sulfonyl)-phenyl]-acetamideN-(4-(BENZOIMIDAZOLE-1-SULFONYL)-PHENYL)-ACETAMIDEN-[4-(benzimidazol-1-ylsulfonyl)phenyl]acetamideTimTec1_000823Oprea1_341305Oprea1_365198MLS000068616N-[4-(1H-1,3-benzodiazole-1-sulfonyl)phenyl]acetamideHMS1536F09HMS2374P18
Show more names
Acetamide, N-[4-(1H-benzimidazol-1-ylsulfonyl)phenyl]-
BDBM50447075STK072495AKOS00066855192555-07-2SMR000122986ST011816EU-0047574N-[4-(benzimidazolylsulfonyl)phenyl]acetamide
Database identifiers
- CAS
92555-07-2- PubChem CID
- 2836732
- ChEMBL
CHEMBL1729716- EC Number
- 163-584-7
- Nikkaji
- J3.367.246B
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 89.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 509
Physicochemical properties
- Melting point
- 197 · 197-200 °C
- Density
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- pka
- 13.93 · 13.93±0.70(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, 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%)
Chemistry & industry
Suppliers1 total
Alinda Chemical Ltd.+7 (495) 672-17-08 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…