4-(4-fluoro-2,5-dimethoxyphenyl)sulfonylmorpholine

C12H16FNO5S — CID 164676723

IUPAC4-(4-fluoro-2,5-dimethoxyphenyl)sulfonylmorpholine
SMILESCOc1cc(S(=O)(=O)N2CCOCC2)c(OC)cc1F
InChIInChI=1S/C12H16FNO5S/c1-17-10-8-12(11(18-2)7-9(10)13)20(15,16)14-3-5-19-6-4-14/h7-8H,3-6H2,1-2H3
InChIKeyZMDUWXLHGPJORC-UHFFFAOYSA-N
MW305.33 g/mol
LogP0.86
Rot. Bonds4

About 4-(4-fluoro-2,5-dimethoxyphenyl)sulfonylmorpholine

4-(4-fluoro-2,5-dimethoxyphenyl)sulfonylmorpholine (PubChem CID 164676723) has the molecular formula C12H16FNO5S and a molecular weight of 305.33 g/mol. Its IUPAC name is 4-(4-fluoro-2,5-dimethoxyphenyl)sulfonylmorpholine.

Molecular Properties

Compound Name4-(4-fluoro-2,5-dimethoxyphenyl)sulfonylmorpholine
PubChem CID164676723
Molecular FormulaC12H16FNO5S
Molecular Weight305.33 g/mol
Exact Mass305.07
IUPAC Name4-(4-fluoro-2,5-dimethoxyphenyl)sulfonylmorpholine
SMILESCOc1cc(S(=O)(=O)N2CCOCC2)c(OC)cc1F
InChIInChI=1S/C12H16FNO5S/c1-17-10-8-12(11(18-2)7-9(10)13)20(15,16)14-3-5-19-6-4-14/h7-8H,3-6H2,1-2H3
InChIKeyZMDUWXLHGPJORC-UHFFFAOYSA-N
XLogP0.86
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,5-Dimethoxybenzenesulfonyl)piperazine
CID 2758389
2,5-dimethoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 2931143
5-Fluoro-2-methoxy-N-(2-morpholin-4-yl-ethyl)-benzenesulfonamide
CID 6487446
4-(3-Methoxyphenylsulfonyl)morpholine
CID 890650
4-(4-Fluoro-3-methoxyphenyl)sulfonylmorpholine
CID 655210
4-(2,5-Diethoxyphenyl)sulfonylmorpholine
CID 778396
3-ethoxy-N,N-diethyl-4-fluorobenzenesulfonamide
CID 850124
4-(3-Ethoxy-4-fluorophenyl)sulfonylmorpholine
CID 934719
1-(2,5-Dimethoxyphenyl)sulfonyl-4-ethylpiperazine
CID 971615
1-[(2,5-Dimethoxyphenyl)sulfonyl]-2,6-dimethylpiperidine
CID 2896830
1-(2,5-Dimethoxy-benzenesulfonyl)-3-methyl-piperidine
CID 3132625
2,5-dimethoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide;hydrochloride
CID 16302059

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-2,5-dimethoxyphenyl)sulfonylmorpholine?
The IUPAC name of 4-(4-fluoro-2,5-dimethoxyphenyl)sulfonylmorpholine (CID 164676723) is 4-(4-fluoro-2,5-dimethoxyphenyl)sulfonylmorpholine.
What is the SMILES notation for 4-(4-fluoro-2,5-dimethoxyphenyl)sulfonylmorpholine?
The canonical SMILES for 4-(4-fluoro-2,5-dimethoxyphenyl)sulfonylmorpholine is COc1cc(S(=O)(=O)N2CCOCC2)c(OC)cc1F.
What is the InChIKey of 4-(4-fluoro-2,5-dimethoxyphenyl)sulfonylmorpholine?
The InChIKey is ZMDUWXLHGPJORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO5S/c1-17-10-8-12(11(18-2)7-9(10)13)20(15,16)14-3-5-19-6-4-14/h7-8H,3-6H2,1-2H3.
What are the key properties of 4-(4-fluoro-2,5-dimethoxyphenyl)sulfonylmorpholine?
4-(4-fluoro-2,5-dimethoxyphenyl)sulfonylmorpholine has a molecular weight of 305.33 g/mol, XLogP of 0.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-2,5-dimethoxyphenyl)sulfonylmorpholine is sourced from PubChem (CID 164676723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).