2-[4-(2-fluoro-5-methylphenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone

C18H26FN3O3S — CID 39626456

IUPAC2-[4-(2-fluoro-5-methylphenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone
SMILESCc1ccc(F)c(S(=O)(=O)N2CCN(CC(=O)N3CCCCC3)CC2)c1
InChIInChI=1S/C18H26FN3O3S/c1-15-5-6-16(19)17(13-15)26(24,25)22-11-9-20(10-12-22)14-18(23)21-7-3-2-4-8-21/h5-6,13H,2-4,7-12,14H2,1H3
InChIKeyJWUWPOGWNXQNOG-UHFFFAOYSA-N
MW383.49 g/mol
LogP1.45
Rot. Bonds4

About 2-[4-(2-fluoro-5-methylphenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone

2-[4-(2-fluoro-5-methylphenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone (PubChem CID 39626456) has the molecular formula C18H26FN3O3S and a molecular weight of 383.49 g/mol. Its IUPAC name is 2-[4-(2-fluoro-5-methylphenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-(2-fluoro-5-methylphenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone
PubChem CID39626456
Molecular FormulaC18H26FN3O3S
Molecular Weight383.49 g/mol
Exact Mass383.17
IUPAC Name2-[4-(2-fluoro-5-methylphenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone
SMILESCc1ccc(F)c(S(=O)(=O)N2CCN(CC(=O)N3CCCCC3)CC2)c1
InChIInChI=1S/C18H26FN3O3S/c1-15-5-6-16(19)17(13-15)26(24,25)22-11-9-20(10-12-22)14-18(23)21-7-3-2-4-8-21/h5-6,13H,2-4,7-12,14H2,1H3
InChIKeyJWUWPOGWNXQNOG-UHFFFAOYSA-N
XLogP1.45
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone
CID 8771330
1-(azocan-1-yl)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 8693911
2-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone
CID 55447305
1-(azepan-1-yl)-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]ethanone
CID 26390006
2-[4-(2,6-difluorophenyl)sulfonyl-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone
CID 35386227
1-[4-(2-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-2-morpholin-4-ylethanone
CID 32681569
2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethanone
CID 8796632
2-[4-[5-(benzenesulfonyl)-2-methylphenyl]sulfonylpiperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 57430490
ethyl 2-[4-(2,5-difluorophenyl)sulfonyl-1,4-diazepan-1-yl]acetate
CID 52788016
2-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 71902438
methyl 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]sulfonylbenzoate
CID 55436625
methyl 4-chloro-3-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]sulfonylbenzoate
CID 30872528

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluoro-5-methylphenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[4-(2-fluoro-5-methylphenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone (CID 39626456) is 2-[4-(2-fluoro-5-methylphenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[4-(2-fluoro-5-methylphenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[4-(2-fluoro-5-methylphenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone is Cc1ccc(F)c(S(=O)(=O)N2CCN(CC(=O)N3CCCCC3)CC2)c1.
What is the InChIKey of 2-[4-(2-fluoro-5-methylphenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone?
The InChIKey is JWUWPOGWNXQNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O3S/c1-15-5-6-16(19)17(13-15)26(24,25)22-11-9-20(10-12-22)14-18(23)21-7-3-2-4-8-21/h5-6,13H,2-4,7-12,14H2,1H3.
What are the key properties of 2-[4-(2-fluoro-5-methylphenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone?
2-[4-(2-fluoro-5-methylphenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone has a molecular weight of 383.49 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluoro-5-methylphenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 39626456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).