1-[4-(2-fluoro-4-methylsulfonylphenyl)piperazin-1-yl]-2-morpholin-3-ylethanone

C17H24FN3O4S — CID 56915896

IUPAC1-[4-(2-fluoro-4-methylsulfonylphenyl)piperazin-1-yl]-2-morpholin-3-ylethanone
SMILESCS(=O)(=O)c1ccc(N2CCN(C(=O)CC3COCCN3)CC2)c(F)c1
InChIInChI=1S/C17H24FN3O4S/c1-26(23,24)14-2-3-16(15(18)11-14)20-5-7-21(8-6-20)17(22)10-13-12-25-9-4-19-13/h2-3,11,13,19H,4-10,12H2,1H3
InChIKeyFVJNAFSRFXXSSA-UHFFFAOYSA-N
MW385.46 g/mol
LogP0.26
Rot. Bonds4

About 1-[4-(2-fluoro-4-methylsulfonylphenyl)piperazin-1-yl]-2-morpholin-3-ylethanone

1-[4-(2-fluoro-4-methylsulfonylphenyl)piperazin-1-yl]-2-morpholin-3-ylethanone (PubChem CID 56915896) has the molecular formula C17H24FN3O4S and a molecular weight of 385.46 g/mol. Its IUPAC name is 1-[4-(2-fluoro-4-methylsulfonylphenyl)piperazin-1-yl]-2-morpholin-3-ylethanone.

Molecular Properties

Compound Name1-[4-(2-fluoro-4-methylsulfonylphenyl)piperazin-1-yl]-2-morpholin-3-ylethanone
PubChem CID56915896
Molecular FormulaC17H24FN3O4S
Molecular Weight385.46 g/mol
Exact Mass385.15
IUPAC Name1-[4-(2-fluoro-4-methylsulfonylphenyl)piperazin-1-yl]-2-morpholin-3-ylethanone
SMILESCS(=O)(=O)c1ccc(N2CCN(C(=O)CC3COCCN3)CC2)c(F)c1
InChIInChI=1S/C17H24FN3O4S/c1-26(23,24)14-2-3-16(15(18)11-14)20-5-7-21(8-6-20)17(22)10-13-12-25-9-4-19-13/h2-3,11,13,19H,4-10,12H2,1H3
InChIKeyFVJNAFSRFXXSSA-UHFFFAOYSA-N
XLogP0.26
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluoro-4-methylsulfonylphenyl)piperazin-1-yl]-2-morpholin-3-ylethanone?
The IUPAC name of 1-[4-(2-fluoro-4-methylsulfonylphenyl)piperazin-1-yl]-2-morpholin-3-ylethanone (CID 56915896) is 1-[4-(2-fluoro-4-methylsulfonylphenyl)piperazin-1-yl]-2-morpholin-3-ylethanone.
What is the SMILES notation for 1-[4-(2-fluoro-4-methylsulfonylphenyl)piperazin-1-yl]-2-morpholin-3-ylethanone?
The canonical SMILES for 1-[4-(2-fluoro-4-methylsulfonylphenyl)piperazin-1-yl]-2-morpholin-3-ylethanone is CS(=O)(=O)c1ccc(N2CCN(C(=O)CC3COCCN3)CC2)c(F)c1.
What is the InChIKey of 1-[4-(2-fluoro-4-methylsulfonylphenyl)piperazin-1-yl]-2-morpholin-3-ylethanone?
The InChIKey is FVJNAFSRFXXSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O4S/c1-26(23,24)14-2-3-16(15(18)11-14)20-5-7-21(8-6-20)17(22)10-13-12-25-9-4-19-13/h2-3,11,13,19H,4-10,12H2,1H3.
What are the key properties of 1-[4-(2-fluoro-4-methylsulfonylphenyl)piperazin-1-yl]-2-morpholin-3-ylethanone?
1-[4-(2-fluoro-4-methylsulfonylphenyl)piperazin-1-yl]-2-morpholin-3-ylethanone has a molecular weight of 385.46 g/mol, XLogP of 0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluoro-4-methylsulfonylphenyl)piperazin-1-yl]-2-morpholin-3-ylethanone is sourced from PubChem (CID 56915896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).