4-(2,3,5,6-tetrafluoro-4-methoxyphenyl)sulfonylmorpholine

C11H11F4NO4S — CID 18191807

IUPAC4-(2,3,5,6-tetrafluoro-4-methoxyphenyl)sulfonylmorpholine
SMILESCOc1c(F)c(F)c(S(=O)(=O)N2CCOCC2)c(F)c1F
InChIInChI=1S/C11H11F4NO4S/c1-19-10-6(12)8(14)11(9(15)7(10)13)21(17,18)16-2-4-20-5-3-16/h2-5H2,1H3
InChIKeyQXWWZCYWZOPOKG-UHFFFAOYSA-N
MW329.27 g/mol
LogP1.27
Rot. Bonds3

About 4-(2,3,5,6-tetrafluoro-4-methoxyphenyl)sulfonylmorpholine

4-(2,3,5,6-tetrafluoro-4-methoxyphenyl)sulfonylmorpholine (PubChem CID 18191807) has the molecular formula C11H11F4NO4S and a molecular weight of 329.27 g/mol. Its IUPAC name is 4-(2,3,5,6-tetrafluoro-4-methoxyphenyl)sulfonylmorpholine.

Molecular Properties

Compound Name4-(2,3,5,6-tetrafluoro-4-methoxyphenyl)sulfonylmorpholine
PubChem CID18191807
Molecular FormulaC11H11F4NO4S
Molecular Weight329.27 g/mol
Exact Mass329.03
IUPAC Name4-(2,3,5,6-tetrafluoro-4-methoxyphenyl)sulfonylmorpholine
SMILESCOc1c(F)c(F)c(S(=O)(=O)N2CCOCC2)c(F)c1F
InChIInChI=1S/C11H11F4NO4S/c1-19-10-6(12)8(14)11(9(15)7(10)13)21(17,18)16-2-4-20-5-3-16/h2-5H2,1H3
InChIKeyQXWWZCYWZOPOKG-UHFFFAOYSA-N
XLogP1.27
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.27
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-(2,3-dibromo-5,6-dimethoxyphenyl)sulfonylmorpholine
CID 21210207
4-(3,5-dichloro-2-methoxyphenyl)sulfonylmorpholine
CID 110758541
4-(2-methoxy-3,5-dimethylphenyl)sulfonylmorpholine
CID 110758314
4-(4-bromo-3-methoxythiophen-2-yl)sulfonylmorpholine
CID 59654484
1-(2,3,4,5,6-pentafluorophenyl)sulfonylazetidine
CID 153301466
1-(2,3,4-trimethoxy-5-morpholin-4-ylsulfonylphenyl)ethanone
CID 118477196
4-methoxy-5-morpholin-4-ylsulfonylthiophen-3-amine
CID 70903741
4-[3-(2,3,5,6-tetrafluoro-4-methoxyphenyl)prop-2-enyl]morpholine
CID 2989142
1-(2,3,4,5,6-pentafluorophenyl)sulfonyl-4-phenylpiperazine
CID 138529969
4-[3-[4-(4-methoxy-2,3,6-trimethylphenyl)sulfonylpiperazin-1-yl]propyl]morpholine
CID 3557196
N'-(4-fluorobenzoyl)-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzohydrazide
CID 43005968
4-(benzenesulfonyl)morpholine;ethane
CID 143200179

Frequently Asked Questions

What is the IUPAC name of 4-(2,3,5,6-tetrafluoro-4-methoxyphenyl)sulfonylmorpholine?
The IUPAC name of 4-(2,3,5,6-tetrafluoro-4-methoxyphenyl)sulfonylmorpholine (CID 18191807) is 4-(2,3,5,6-tetrafluoro-4-methoxyphenyl)sulfonylmorpholine.
What is the SMILES notation for 4-(2,3,5,6-tetrafluoro-4-methoxyphenyl)sulfonylmorpholine?
The canonical SMILES for 4-(2,3,5,6-tetrafluoro-4-methoxyphenyl)sulfonylmorpholine is COc1c(F)c(F)c(S(=O)(=O)N2CCOCC2)c(F)c1F.
What is the InChIKey of 4-(2,3,5,6-tetrafluoro-4-methoxyphenyl)sulfonylmorpholine?
The InChIKey is QXWWZCYWZOPOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F4NO4S/c1-19-10-6(12)8(14)11(9(15)7(10)13)21(17,18)16-2-4-20-5-3-16/h2-5H2,1H3.
What are the key properties of 4-(2,3,5,6-tetrafluoro-4-methoxyphenyl)sulfonylmorpholine?
4-(2,3,5,6-tetrafluoro-4-methoxyphenyl)sulfonylmorpholine has a molecular weight of 329.27 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,5,6-tetrafluoro-4-methoxyphenyl)sulfonylmorpholine is sourced from PubChem (CID 18191807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).