[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclohexanecarboxylate

C19H25FN2O5S — CID 9016889

IUPAC[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclohexanecarboxylate
SMILESO=C(OCC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1)C1CCCCC1
InChIInChI=1S/C19H25FN2O5S/c20-16-7-4-8-17(13-16)28(25,26)22-11-9-21(10-12-22)18(23)14-27-19(24)15-5-2-1-3-6-15/h4,7-8,13,15H,1-3,5-6,9-12,14H2
InChIKeyAVXPTHYLMIIERI-UHFFFAOYSA-N
MW412.48 g/mol
LogP1.78
Rot. Bonds5

About [2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclohexanecarboxylate

[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclohexanecarboxylate (PubChem CID 9016889) has the molecular formula C19H25FN2O5S and a molecular weight of 412.48 g/mol. Its IUPAC name is [2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclohexanecarboxylate.

Molecular Properties

Compound Name[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclohexanecarboxylate
PubChem CID9016889
Molecular FormulaC19H25FN2O5S
Molecular Weight412.48 g/mol
Exact Mass412.15
IUPAC Name[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclohexanecarboxylate
SMILESO=C(OCC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1)C1CCCCC1
InChIInChI=1S/C19H25FN2O5S/c20-16-7-4-8-17(13-16)28(25,26)22-11-9-21(10-12-22)18(23)14-27-19(24)15-5-2-1-3-6-15/h4,7-8,13,15H,1-3,5-6,9-12,14H2
InChIKeyAVXPTHYLMIIERI-UHFFFAOYSA-N
XLogP1.78
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.48
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

cis-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] (1R,2S)-2-methylcyclopropane-1-carboxylate
CID 9230370
2-cyclopentyl-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 9369541
[2-(azepan-1-yl)-2-oxoethyl] 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate
CID 7739790
2-(azocan-1-yl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 8679846
2-[(4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium-2-yl]-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 11931891
[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] thiophene-2-carboxylate
CID 9199359
[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] (1S)-cyclohex-3-ene-1-carboxylate
CID 8566669
N-cyclohexyl-4-(3-fluorophenyl)sulfonylpiperazine-1-carboxamide
CID 35398779
ethyl (3S)-1-(3-fluorophenyl)sulfonylpiperidine-3-carboxylate
CID 81307363
[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclopentanecarboxylate
CID 9202129
(2-morpholin-4-yl-2-oxoethyl) 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate
CID 55319600
1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]pentan-1-one
CID 78781800

Frequently Asked Questions

What is the IUPAC name of [2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclohexanecarboxylate?
The IUPAC name of [2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclohexanecarboxylate (CID 9016889) is [2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclohexanecarboxylate.
What is the SMILES notation for [2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclohexanecarboxylate?
The canonical SMILES for [2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclohexanecarboxylate is O=C(OCC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1)C1CCCCC1.
What is the InChIKey of [2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclohexanecarboxylate?
The InChIKey is AVXPTHYLMIIERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O5S/c20-16-7-4-8-17(13-16)28(25,26)22-11-9-21(10-12-22)18(23)14-27-19(24)15-5-2-1-3-6-15/h4,7-8,13,15H,1-3,5-6,9-12,14H2.
What are the key properties of [2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclohexanecarboxylate?
[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclohexanecarboxylate has a molecular weight of 412.48 g/mol, XLogP of 1.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclohexanecarboxylate is sourced from PubChem (CID 9016889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).