1-(4-(Pyrrolidin-1-ylsulfonyl)phenyl)ethanone
Basic information
- CAS
58722-33-1- Standard SMILES
CC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1- InChIKey
JYLJULSIFMBCJA-UHFFFAOYSA-N- Molecular formula
- C12H15NO3S
- Average molar mass
- 253.32 g/mol
- Monoisotopic mass
- 253.07726451
Names & identifiers
- Preferred name
- 1-(4-(Pyrrolidin-1-ylsulfonyl)phenyl)ethanone
- IUPAC
- 1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone
- English name
- 1-[4-(Pyrrolidin-1-ylsulfonyl)phenyl]ethanone
- Molecular formula
- C12H15NO3S
- Molecular weight
- 253.32
Names & synonyms
58722-33-11-[4-(pyrrolidin-1-ylsulfonyl)phenyl]ethanone1-(4-(Pyrrolidin-1-ylsulfonyl)phenyl)ethanoneDTXSID80354952RefChem:1054263DTXCID803060121-[4-(pyrrolidine-1-sulfonyl)phenyl]ethan-1-one1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone1-(4-(Pyrrolidin-1-ylsulfonyl)phenyl)ethan-1-one1-[4-(Pyrrolidine-1-sulfonyl)-phenyl]-ethanoneMLS000123266MFCD02261906
Show more names
SALOR-INT L469432-1EA4-PYRROLYDINSULFAMYL-ACETOPHENONE1-(4-(1-PYRROLIDINYLSULFONYL)PHENYL)ETHANONEEthanone, 1-[4-(1-pyrrolidinylsulfonyl)phenyl]-
BAS 02992798SCHEMBL6809391CHEMBL1418549SCHEMBL11536910JYLJULSIFMBCJA-UHFFFAOYSA-NHMS2455C21ICA72233STK701516
Database identifiers
- CAS
58722-33-1- PubChem CID
- 787672
- DTXSID
DTXSID80354952- ChEMBL
CHEMBL1418549- Nikkaji
- J3.267.477A
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 371
Related reactions
3 records
Compound notes
Loading…