[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(oxan-4-yl)methanone

C16H21FN2O4S — CID 17430356

IUPAC[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(oxan-4-yl)methanone
SMILESO=C(C1CCOCC1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C16H21FN2O4S/c17-14-1-3-15(4-2-14)24(21,22)19-9-7-18(8-10-19)16(20)13-5-11-23-12-6-13/h1-4,13H,5-12H2
InChIKeyCZQQIYCLWVAQCO-UHFFFAOYSA-N
MW356.42 g/mol
LogP1.09
Rot. Bonds3

About [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(oxan-4-yl)methanone

[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(oxan-4-yl)methanone (PubChem CID 17430356) has the molecular formula C16H21FN2O4S and a molecular weight of 356.42 g/mol. Its IUPAC name is [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(oxan-4-yl)methanone
PubChem CID17430356
Molecular FormulaC16H21FN2O4S
Molecular Weight356.42 g/mol
Exact Mass356.12
IUPAC Name[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(oxan-4-yl)methanone
SMILESO=C(C1CCOCC1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C16H21FN2O4S/c17-14-1-3-15(4-2-14)24(21,22)19-9-7-18(8-10-19)16(20)13-5-11-23-12-6-13/h1-4,13H,5-12H2
InChIKeyCZQQIYCLWVAQCO-UHFFFAOYSA-N
XLogP1.09
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(oxan-4-yl)methanone
CID 31190301
cyclohexyl-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methanone
CID 31667720
1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-morpholin-4-ylbutane-1,4-dione
CID 18208683
cyclopropyl-[4-(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]methanone
CID 32651804
ethyl 4-[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]piperazine-1-carboxylate
CID 2921895
cyclopropyl-[4-(4-methylsulfonylphenyl)sulfonylpiperazin-1-yl]methanone
CID 110817571
(1S,2R,3S,4S)-3-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 51012756
[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 3236130
morpholin-4-yl-[1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidin-3-yl]methanone
CID 16605464
[1-[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 55406673
[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(oxan-4-yl)methanone
CID 31137350
(1S,6R)-6-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid
CID 27521988

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(oxan-4-yl)methanone?
The IUPAC name of [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(oxan-4-yl)methanone (CID 17430356) is [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(oxan-4-yl)methanone.
What is the SMILES notation for [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(oxan-4-yl)methanone?
The canonical SMILES for [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(oxan-4-yl)methanone is O=C(C1CCOCC1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(oxan-4-yl)methanone?
The InChIKey is CZQQIYCLWVAQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O4S/c17-14-1-3-15(4-2-14)24(21,22)19-9-7-18(8-10-19)16(20)13-5-11-23-12-6-13/h1-4,13H,5-12H2.
What are the key properties of [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(oxan-4-yl)methanone?
[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(oxan-4-yl)methanone has a molecular weight of 356.42 g/mol, XLogP of 1.09, 3 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]-(oxan-4-yl)methanone is sourced from PubChem (CID 17430356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).