Basic information
- CAS
297178-86-0- Standard SMILES
CC(=O)Nc1ccc(S(=O)(=O)NCc2ccncc2)cc1- InChIKey
ZUXLEAHODLVWQV-UHFFFAOYSA-N- Molecular formula
- C14H15N3O3S
- Average molar mass
- 305.35 g/mol
- Monoisotopic mass
- 305.08341252
Names & identifiers
- Preferred name
- N-(4-{[(pyridin-4-yl)methyl]sulfamoyl}phenyl)acetamide
- IUPAC
- N-[4-(pyridin-4-ylmethylsulfamoyl)phenyl]acetamide
- English name
- N-(4-(((4-Pyridylmethyl)amino)sulfonyl)phenyl)ethanamide
- Molecular formula
- C14H15N3O3S
- Molecular weight
- 305.35
Names & synonyms
297178-86-0N-(4-{[(pyridin-4-yl)methyl]sulfamoyl}phenyl)acetamideN-(4-{[(4-pyridinylmethyl)amino]sulfonyl}phenyl)acetamideN-(4-(N-(pyridin-4-ylmethyl)sulfamoyl)phenyl)acetamideMFCD00577500N-{4-[(pyridin-4-ylmethyl)sulfamoyl]phenyl}acetamideCambridge id 5243451Oprea1_034580Oprea1_506226MLS000714682N-[4-(pyridin-4-ylmethylsulfamoyl)phenyl]acetamideCHEMBL1448496
Show more names
N-(4-(((4-Pyridylmethyl)amino)sulfonyl)phenyl)ethanamideAcetamide, N-[4-[[(4-pyridinylmethyl)amino]sulfonyl]phenyl]-
HMS2665D06STK353671AKOS000383400MS-7485SMR000274661ST011807CS-0333309AB00076480-01
Database identifiers
- CAS
297178-86-0- PubChem CID
- 720106
- ChEMBL
CHEMBL1448496
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 96.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 433
Experimental & physicochemical properties
Solubility>45.8 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Density
- 1.344 · 1.344±0.06 g/cm3(Predicted)
- pka
- 9.41 · 9.41±0.50(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
Suppliers4 total
Key Organics Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
MENAI[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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