2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone

C17H23F2N3O3S — CID 8771330

IUPAC2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone
SMILESO=C(CN1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1)N1CCCCC1
InChIInChI=1S/C17H23F2N3O3S/c18-14-4-5-16(15(19)12-14)26(24,25)22-10-8-20(9-11-22)13-17(23)21-6-2-1-3-7-21/h4-5,12H,1-3,6-11,13H2
InChIKeyZUJYPXSYSBPRMZ-UHFFFAOYSA-N
MW387.45 g/mol
LogP1.28
Rot. Bonds4

About 2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone

2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone (PubChem CID 8771330) has the molecular formula C17H23F2N3O3S and a molecular weight of 387.45 g/mol. Its IUPAC name is 2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone
PubChem CID8771330
Molecular FormulaC17H23F2N3O3S
Molecular Weight387.45 g/mol
Exact Mass387.14
IUPAC Name2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone
SMILESO=C(CN1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1)N1CCCCC1
InChIInChI=1S/C17H23F2N3O3S/c18-14-4-5-16(15(19)12-14)26(24,25)22-10-8-20(9-11-22)13-17(23)21-6-2-1-3-7-21/h4-5,12H,1-3,6-11,13H2
InChIKeyZUJYPXSYSBPRMZ-UHFFFAOYSA-N
XLogP1.28
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-fluoro-5-methylphenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone
CID 39626456
2-cyclopentyl-1-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 9302375
tert-butyl 2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]acetate
CID 8771407
1-(azocan-1-yl)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 8693911
2-[4-(2,6-difluorophenyl)sulfonyl-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone
CID 35386227
2-(azocan-1-yl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 8679846
2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-N,N-dipropylacetamide
CID 112796986
2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)acetamide
CID 8771417
2-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone
CID 55447305
2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 8771312
1-[2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyrimidin-2-one
CID 39944830
2-[[2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-ethylacetamide
CID 8771582

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone (CID 8771330) is 2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone is O=C(CN1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1)N1CCCCC1.
What is the InChIKey of 2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone?
The InChIKey is ZUJYPXSYSBPRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2N3O3S/c18-14-4-5-16(15(19)12-14)26(24,25)22-10-8-20(9-11-22)13-17(23)21-6-2-1-3-7-21/h4-5,12H,1-3,6-11,13H2.
What are the key properties of 2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone?
2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone has a molecular weight of 387.45 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 8771330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).