4-[(4-Phenoxyphenyl)sulfonyl]morpholine
Basic information
- CAS
494838-95-8- Standard SMILES
O=S(=O)(c1ccc(Oc2ccccc2)cc1)N1CCOCC1- InChIKey
JEDYKBIVYSSWOB-UHFFFAOYSA-N- Molecular formula
- C16H17NO4S
- Average molar mass
- 319.4 g/mol
- Monoisotopic mass
- 319.0878292
Names & identifiers
- Preferred name
- 4-[(4-Phenoxyphenyl)sulfonyl]morpholine
- IUPAC
- 4-(4-phenoxyphenyl)sulfonylmorpholine
- English name
- 4-[(4-Phenoxyphenyl)sulfonyl]morpholine
- Molecular formula
- C16H17NO4S
- Molecular weight
- 319.38
Names & synonyms
4-[(4-phenoxyphenyl)sulfonyl]morpholine494838-95-84-(4-phenoxyphenyl)sulfonylmorpholineCBMicro_018469Oprea1_674477MLS000058896CHEMBL1537911SCHEMBL29483604DTXSID601278416HMS2444C03CCG-6772AKOS003635425
Show more names
SMR0000694654-(4-Phenoxybenzene-1-sulfonyl)morpholineBIM-0018456.P0014-(4-morpholinylsulfonyl)phenyl phenyl etherST51068141AK-918/11887007
Database identifiers
- CAS
494838-95-8- PubChem CID
- 796473
- DTXSID
DTXSID601278416- ChEMBL
CHEMBL1537911
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 64.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 428
Physicochemical properties
- Boiling point
- 471.411 · 471.411±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.296 · 1.296±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -7.434 · -7.434±0.20(predicted)
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Compound notes
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