2-(4-fluorophenyl)sulfonyl-1-morpholin-4-ylethanone

C12H14FNO4S — CID 1486407

IUPAC2-(4-fluorophenyl)sulfonyl-1-morpholin-4-ylethanone
SMILESO=C(CS(=O)(=O)c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C12H14FNO4S/c13-10-1-3-11(4-2-10)19(16,17)9-12(15)14-5-7-18-8-6-14/h1-4H,5-9H2
InChIKeyAUFDDPXFFYAISQ-UHFFFAOYSA-N
MW287.31 g/mol
LogP0.46
Rot. Bonds3

About 2-(4-fluorophenyl)sulfonyl-1-morpholin-4-ylethanone

2-(4-fluorophenyl)sulfonyl-1-morpholin-4-ylethanone (PubChem CID 1486407) has the molecular formula C12H14FNO4S and a molecular weight of 287.31 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfonyl-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfonyl-1-morpholin-4-ylethanone
PubChem CID1486407
Molecular FormulaC12H14FNO4S
Molecular Weight287.31 g/mol
Exact Mass287.06
IUPAC Name2-(4-fluorophenyl)sulfonyl-1-morpholin-4-ylethanone
SMILESO=C(CS(=O)(=O)c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C12H14FNO4S/c13-10-1-3-11(4-2-10)19(16,17)9-12(15)14-5-7-18-8-6-14/h1-4H,5-9H2
InChIKeyAUFDDPXFFYAISQ-UHFFFAOYSA-N
XLogP0.46
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)sulfonylethanone
CID 6459911
1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-morpholin-4-ylbutane-1,4-dione
CID 18208683
2-(4-fluorophenyl)-1-[4-(morpholine-4-carbonyl)piperazin-1-yl]ethanone
CID 110365721
2-(3-bromo-4-pyrrolidin-1-ylphenyl)sulfonyl-1-morpholin-4-ylethanone
CID 168940577
3-(4-bromophenyl)sulfonyl-1-morpholin-4-ylpropan-1-one
CID 15997972
2-(4-methylphenyl)sulfonyl-1-piperidin-1-ylethanone
CID 56731899
1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanone
CID 137331342
N-[2-(4-fluorophenyl)ethyl]-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
CID 113152017
2-(4-chlorophenyl)sulfonyl-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide
CID 55369853
4-(4-fluorophenyl)-N-[6-(2-morpholin-4-yl-2-oxoethyl)-2-pyridinyl]benzenesulfonamide
CID 11719465
3-(4-fluorophenyl)sulfonyl-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 7177743
2-[(3-amino-4-pyridinyl)sulfonyl]-1-morpholin-4-ylethanone
CID 62113459

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfonyl-1-morpholin-4-ylethanone?
The IUPAC name of 2-(4-fluorophenyl)sulfonyl-1-morpholin-4-ylethanone (CID 1486407) is 2-(4-fluorophenyl)sulfonyl-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(4-fluorophenyl)sulfonyl-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(4-fluorophenyl)sulfonyl-1-morpholin-4-ylethanone is O=C(CS(=O)(=O)c1ccc(F)cc1)N1CCOCC1.
What is the InChIKey of 2-(4-fluorophenyl)sulfonyl-1-morpholin-4-ylethanone?
The InChIKey is AUFDDPXFFYAISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO4S/c13-10-1-3-11(4-2-10)19(16,17)9-12(15)14-5-7-18-8-6-14/h1-4H,5-9H2.
What are the key properties of 2-(4-fluorophenyl)sulfonyl-1-morpholin-4-ylethanone?
2-(4-fluorophenyl)sulfonyl-1-morpholin-4-ylethanone has a molecular weight of 287.31 g/mol, XLogP of 0.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfonyl-1-morpholin-4-ylethanone is sourced from PubChem (CID 1486407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).