1-[4-(4-Morpholinylsulfonyl)phenyl]ethanone

HCID 746765

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Basic information

CAS: 58722-35-3
Standard SMILES: CC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIKey: VPKDMMVZORPXFJ-UHFFFAOYSA-N
Molecular formula: C12H15NO4S
Average molar mass: 269.32 g/mol
Monoisotopic mass: 269.07217896

Names & identifiers

Preferred name: 1-[4-(4-Morpholinylsulfonyl)phenyl]ethanone
IUPAC: 1-(4-morpholin-4-ylsulfonylphenyl)ethanone
English name: 1-[4-(Morpholine-4-sulfonyl)-phenyl]-ethanone
Molecular formula: C12H15NO4S
Molecular weight: 269.32

Names & synonyms

58722-35-31-[4-(4-morpholinylsulfonyl)phenyl]ethanone1-(4-(4-MORPHOLINYLSULFONYL)PHENYL)ETHANONERefChem:2247241-[4-(Morpholine-4-sulfonyl)-phenyl]-ethanone1-[4-(morpholine-4-sulfonyl)phenyl]ethan-1-one1-(4-(Morpholinosulfonyl)phenyl)ethanone1-(4-morpholin-4-ylsulfonylphenyl)ethanoneMFCD005798651-(4-(Morpholinosulfonyl)phenyl)ethan-1-one1-acetyl-4-(morpholin-4-ylsulfonyl)benzene1-[4-(morpholine-4-sulfonyl)phenyl]ethanone

Show more names

AKOS BBS-000011934-MORPHOLINSULFAMYL-ACETOPHENONEEthanone, 1-[4-(4-morpholinylsulfonyl)phenyl]-

Cambridge id 5251139Ethanone,1-[4-(4-morpholinylsulfonyl)phenyl]-CBDivE_008154SCHEMBL334552DTXSID40974251VPKDMMVZORPXFJ-UHFFFAOYSA-NICA72235SBB038872

Database identifiers

CAS: 58722-35-3
PubChem CID: 746765
DTXSID: DTXSID40974251
EC Number: 998-752-6

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 72.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 18
Formal charge: 0
Complexity: 387

Physicochemical properties

Melting point: 155 · 155-156 °C
Boiling point: 448 · 448.0±55.0 °C(Predicted)
Density: 1.298 · 1.298±0.06 g/cm3(Predicted)
pka: -8.18 · -8.18±0.20(Predicted)

Safety & regulation

GHS classification

GHS Classification · 4 items

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.