Basic information
- Standard SMILES
CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1- InChIKey
FAAZVYRDPYXYPO-UHFFFAOYSA-N- Molecular formula
- C12H16N2O3S
- Average molar mass
- 268.33 g/mol
- Monoisotopic mass
- 268.08816337
Names & identifiers
- Preferred name
- N-[4-(pyrrolidin-1-ylsulfonyl)phenyl]acetamide
- IUPAC
- N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
- English name
- N-[4-(pyrrolidin-1-ylsulfonyl)phenyl]acetamide
- Molecular formula
- C12H16N2O3S
- Molecular weight
- 268.33
Names & synonyms
288154-64-3N-[4-(pyrrolidin-1-ylsulfonyl)phenyl]acetamideN-(4-(pyrrolidin-1-ylsulfonyl)phenyl)acetamideN-[4-(Pyrrolidine-1-sulfonyl)-phenyl]-acetamideN-(4-pyrrolidin-1-ylsulfonylphenyl)acetamideMFCD00592754N-[4-(pyrrolidine-1-sulfonyl)phenyl]acetamideAcetamide, N-[4-(1-pyrrolidinylsulfonyl)phenyl]-Cambridge id 5278841Oprea1_696307Oprea1_762575MLS001207344
Show more names
SCHEMBL3300404CHEMBL1711547DTXSID00352172FAAZVYRDPYXYPO-UHFFFAOYSA-NHMS2821O04ALBB-023952STK032725AKOS000488727
Database identifiers
- CAS
288154-64-3- PubChem CID
- 720658
- DTXSID
DTXSID00352172- ChEMBL
CHEMBL1711547
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 388
Experimental & physicochemical properties
Solubility>40.2 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Density
- 1.34 · 1.340±0.06 g/cm3(Predicted)
- pka
- 14.36 · 14.36±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Suppliers5 total
上海林栎生物科技有限公司13761635123 · [email protected]
上海康恩博医药科技有限公司17510465506 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 18651614124 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
2 records
Linked notes
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