4-(4-bromo-3-fluorophenyl)sulfonyl-2-ethylmorpholine

C12H15BrFNO3S — CID 113242547

IUPAC4-(4-bromo-3-fluorophenyl)sulfonyl-2-ethylmorpholine
SMILESCCC1CN(S(=O)(=O)c2ccc(Br)c(F)c2)CCO1
InChIInChI=1S/C12H15BrFNO3S/c1-2-9-8-15(5-6-18-9)19(16,17)10-3-4-11(13)12(14)7-10/h3-4,7,9H,2,5-6,8H2,1H3
InChIKeyOCQKTKVKMKCALI-UHFFFAOYSA-N
MW352.23 g/mol
LogP2.39
Rot. Bonds3

About 4-(4-bromo-3-fluorophenyl)sulfonyl-2-ethylmorpholine

4-(4-bromo-3-fluorophenyl)sulfonyl-2-ethylmorpholine (PubChem CID 113242547) has the molecular formula C12H15BrFNO3S and a molecular weight of 352.23 g/mol. Its IUPAC name is 4-(4-bromo-3-fluorophenyl)sulfonyl-2-ethylmorpholine.

Molecular Properties

Compound Name4-(4-bromo-3-fluorophenyl)sulfonyl-2-ethylmorpholine
PubChem CID113242547
Molecular FormulaC12H15BrFNO3S
Molecular Weight352.23 g/mol
Exact Mass350.99
IUPAC Name4-(4-bromo-3-fluorophenyl)sulfonyl-2-ethylmorpholine
SMILESCCC1CN(S(=O)(=O)c2ccc(Br)c(F)c2)CCO1
InChIInChI=1S/C12H15BrFNO3S/c1-2-9-8-15(5-6-18-9)19(16,17)10-3-4-11(13)12(14)7-10/h3-4,7,9H,2,5-6,8H2,1H3
InChIKeyOCQKTKVKMKCALI-UHFFFAOYSA-N
XLogP2.39
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-4-(3-fluoro-4-nitrophenyl)sulfonylmorpholine
CID 82846633
1-(4-bromo-3-fluorophenyl)sulfonyl-3-ethylpiperidin-4-amine
CID 107093333
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-2-ethylmorpholine
CID 42947765
3-(2-ethylmorpholin-4-yl)sulfonylaniline
CID 43562350
2-[4-(3,4-difluorophenyl)sulfonylmorpholin-2-yl]acetic acid
CID 66433225
[1-(4-bromo-3-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 103828949
1-(4-bromo-3-fluorophenyl)sulfonyl-3-methylpiperazine
CID 103829007
5-(2-ethylmorpholin-4-yl)sulfonylpyrimidin-2-amine
CID 62147516
4-(2-ethylmorpholin-4-yl)sulfonyl-1H-pyrrole-2-carboxylic acid
CID 43562582
[4-(2-ethylmorpholin-4-yl)sulfonyl-3-fluorophenyl]methanol
CID 79187593
3-(2-ethylmorpholin-4-yl)sulfonyl-4-fluorobenzoic acid
CID 43421826
4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-2-ethylmorpholine
CID 64623353

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-3-fluorophenyl)sulfonyl-2-ethylmorpholine?
The IUPAC name of 4-(4-bromo-3-fluorophenyl)sulfonyl-2-ethylmorpholine (CID 113242547) is 4-(4-bromo-3-fluorophenyl)sulfonyl-2-ethylmorpholine.
What is the SMILES notation for 4-(4-bromo-3-fluorophenyl)sulfonyl-2-ethylmorpholine?
The canonical SMILES for 4-(4-bromo-3-fluorophenyl)sulfonyl-2-ethylmorpholine is CCC1CN(S(=O)(=O)c2ccc(Br)c(F)c2)CCO1.
What is the InChIKey of 4-(4-bromo-3-fluorophenyl)sulfonyl-2-ethylmorpholine?
The InChIKey is OCQKTKVKMKCALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO3S/c1-2-9-8-15(5-6-18-9)19(16,17)10-3-4-11(13)12(14)7-10/h3-4,7,9H,2,5-6,8H2,1H3.
What are the key properties of 4-(4-bromo-3-fluorophenyl)sulfonyl-2-ethylmorpholine?
4-(4-bromo-3-fluorophenyl)sulfonyl-2-ethylmorpholine has a molecular weight of 352.23 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-3-fluorophenyl)sulfonyl-2-ethylmorpholine is sourced from PubChem (CID 113242547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).