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

C15H19FN2O3S — CID 2664136

IUPACcyclobutyl-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone
SMILESO=C(C1CCC1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C15H19FN2O3S/c16-13-4-6-14(7-5-13)22(20,21)18-10-8-17(9-11-18)15(19)12-2-1-3-12/h4-7,12H,1-3,8-11H2
InChIKeyVPACFFWCDMJWHM-UHFFFAOYSA-N
MW326.39 g/mol
LogP1.46
Rot. Bonds3

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

cyclobutyl-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 2664136) has the molecular formula C15H19FN2O3S and a molecular weight of 326.39 g/mol. Its IUPAC name is cyclobutyl-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID2664136
Molecular FormulaC15H19FN2O3S
Molecular Weight326.39 g/mol
Exact Mass326.11
IUPAC Namecyclobutyl-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone
SMILESO=C(C1CCC1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C15H19FN2O3S/c16-13-4-6-14(7-5-13)22(20,21)18-10-8-17(9-11-18)15(19)12-2-1-3-12/h4-7,12H,1-3,8-11H2
InChIKeyVPACFFWCDMJWHM-UHFFFAOYSA-N
XLogP1.46
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 717239
[1-(Phenylsulfonyl)-4-piperidinyl](piperidino)methanone
CID 1084367
N-ethyl-N-[2-oxo-2-(piperidin-1-yl)ethyl]benzenesulfonamide
CID 2991053
1-[4-(Benzenesulfonyl)piperazin-1-yl]-2-cyclopentylethanone
CID 8933910
1-(4-Fluorobenzenesulfonyl)-N-(3-methylbutyl)piperidine-2-carboxamide
CID 6619133
[1-(Phenylsulfonyl)piperidin-3-yl](piperidin-1-yl)methanone
CID 2931939
Unifiram
CID 9861054
1-{2-[Cyclohexyl-(4-fluoro-benzenesulfonyl)-amino]-acetyl}-piperidine-4-carboxylic acid amide
CID 1072980
1-({1-[(4-Fluorophenyl)sulfonyl]-3-piperidinyl}carbonyl)-4-methylpiperazine
CID 3572352
1-{[1-(Phenylsulfonyl)-3-piperidinyl]carbonyl}azepane
CID 3735201
1-[4-[(4-Fluorophenyl)sulfonyl-methylamino]butanoyl]piperidine-3-carboxamide
CID 16326445
1-[3-[(2-Fluorophenyl)sulfonylamino]propanoyl]isonipecotamide
CID 25161663

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of cyclobutyl-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone (CID 2664136) is cyclobutyl-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone is O=C(C1CCC1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of cyclobutyl-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is VPACFFWCDMJWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3S/c16-13-4-6-14(7-5-13)22(20,21)18-10-8-17(9-11-18)15(19)12-2-1-3-12/h4-7,12H,1-3,8-11H2.
What are the key properties of cyclobutyl-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone?
cyclobutyl-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 326.39 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 2664136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).