2-(3-bromo-4-fluorophenyl)sulfonyl-2-methyl-1-morpholin-4-ylpropan-1-one

C14H17BrFNO4S — CID 168941274

IUPAC2-(3-bromo-4-fluorophenyl)sulfonyl-2-methyl-1-morpholin-4-ylpropan-1-one
SMILESCC(C)(C(=O)N1CCOCC1)S(=O)(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H17BrFNO4S/c1-14(2,13(18)17-5-7-21-8-6-17)22(19,20)10-3-4-12(16)11(15)9-10/h3-4,9H,5-8H2,1-2H3
InChIKeyNRARQZKPFBGXQL-UHFFFAOYSA-N
MW394.26 g/mol
LogP2.00
Rot. Bonds3

About 2-(3-bromo-4-fluorophenyl)sulfonyl-2-methyl-1-morpholin-4-ylpropan-1-one

2-(3-bromo-4-fluorophenyl)sulfonyl-2-methyl-1-morpholin-4-ylpropan-1-one (PubChem CID 168941274) has the molecular formula C14H17BrFNO4S and a molecular weight of 394.26 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)sulfonyl-2-methyl-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)sulfonyl-2-methyl-1-morpholin-4-ylpropan-1-one
PubChem CID168941274
Molecular FormulaC14H17BrFNO4S
Molecular Weight394.26 g/mol
Exact Mass393.00
IUPAC Name2-(3-bromo-4-fluorophenyl)sulfonyl-2-methyl-1-morpholin-4-ylpropan-1-one
SMILESCC(C)(C(=O)N1CCOCC1)S(=O)(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H17BrFNO4S/c1-14(2,13(18)17-5-7-21-8-6-17)22(19,20)10-3-4-12(16)11(15)9-10/h3-4,9H,5-8H2,1-2H3
InChIKeyNRARQZKPFBGXQL-UHFFFAOYSA-N
XLogP2.00
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.26
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)sulfonyl-2-methyl-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)sulfonyl-2-methyl-1-morpholin-4-ylpropan-1-one (CID 168941274) is 2-(3-bromo-4-fluorophenyl)sulfonyl-2-methyl-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)sulfonyl-2-methyl-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)sulfonyl-2-methyl-1-morpholin-4-ylpropan-1-one is CC(C)(C(=O)N1CCOCC1)S(=O)(=O)c1ccc(F)c(Br)c1.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)sulfonyl-2-methyl-1-morpholin-4-ylpropan-1-one?
The InChIKey is NRARQZKPFBGXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFNO4S/c1-14(2,13(18)17-5-7-21-8-6-17)22(19,20)10-3-4-12(16)11(15)9-10/h3-4,9H,5-8H2,1-2H3.
What are the key properties of 2-(3-bromo-4-fluorophenyl)sulfonyl-2-methyl-1-morpholin-4-ylpropan-1-one?
2-(3-bromo-4-fluorophenyl)sulfonyl-2-methyl-1-morpholin-4-ylpropan-1-one has a molecular weight of 394.26 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluorophenyl)sulfonyl-2-methyl-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 168941274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).