[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone

C15H20FN3O4S — CID 1094976

IUPAC[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C15H20FN3O4S/c16-13-1-3-14(4-2-13)24(21,22)19-7-5-17(6-8-19)15(20)18-9-11-23-12-10-18/h1-4H,5-12H2
InChIKeyQNQWAROSZLAELK-UHFFFAOYSA-N
MW357.41 g/mol
LogP0.58
Rot. Bonds2

About [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone

[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone (PubChem CID 1094976) has the molecular formula C15H20FN3O4S and a molecular weight of 357.41 g/mol. Its IUPAC name is [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone
PubChem CID1094976
Molecular FormulaC15H20FN3O4S
Molecular Weight357.41 g/mol
Exact Mass357.12
IUPAC Name[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C15H20FN3O4S/c16-13-1-3-14(4-2-13)24(21,22)19-7-5-17(6-8-19)15(20)18-9-11-23-12-10-18/h1-4H,5-12H2
InChIKeyQNQWAROSZLAELK-UHFFFAOYSA-N
XLogP0.58
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Fluoro-N-(2-morpholin-4-yl-2-oxo-ethyl)-benzenesulfonamide
CID 893873
4-{2-Oxo-2-[3-(phenylsulfonyl)-1-imidazolidinyl]ethyl}morpholine
CID 747981
(4-((4-Chlorophenyl)sulfonyl)piperazin-1-yl)(morpholino)methanone
CID 1091481
Ethyl 4-(4-fluorophenyl)sulfonylpiperazine-1-carboxylate
CID 655915
N-ethyl-N-[2-(morpholin-4-yl)-2-oxoethyl]benzenesulfonamide
CID 2987913
N-Ethyl-4-fluoro-N-(2-morpholin-4-yl-2-oxo-ethyl)-benzenesulfonamide
CID 2989778
[5-Methyl-3-(phenylsulfonyl)imidazolidin-1-yl](morpholin-4-yl)methanone
CID 6498818
(3-Benzenesulfonyl-imidazolidin-1-yl)-morpholin-4-yl-methanone
CID 656022
2-{4-[(4-Fluorophenyl)sulfonyl]piperazino}-1-morpholino-1-ethanone
CID 2815597
N-[2-(benzenesulfonamido)ethyl]morpholine-4-carboxamide
CID 2059172
[3-(4-Fluoro-benzenesulfonyl)-2,5-dimethyl-imidazolidin-1-yl]-morpholin-4-yl-methanone
CID 6498829
N,N-diethyl-4-(4-fluorobenzenesulfonyl)piperazine-1-carboxamide
CID 973779

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone (CID 1094976) is [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone is O=C(N1CCOCC1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is QNQWAROSZLAELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O4S/c16-13-1-3-14(4-2-13)24(21,22)19-7-5-17(6-8-19)15(20)18-9-11-23-12-10-18/h1-4H,5-12H2.
What are the key properties of [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone?
[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 357.41 g/mol, XLogP of 0.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 1094976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).