1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-phenylpentan-1-one

C21H24F2N2O3S — CID 18289403

IUPAC1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-phenylpentan-1-one
SMILESCCCC(C(=O)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)c1ccccc1
InChIInChI=1S/C21H24F2N2O3S/c1-2-6-18(16-7-4-3-5-8-16)21(26)24-11-13-25(14-12-24)29(27,28)20-15-17(22)9-10-19(20)23/h3-5,7-10,15,18H,2,6,11-14H2,1H3
InChIKeyUBLOAYFGHXOXIZ-UHFFFAOYSA-N
MW422.50 g/mol
LogP3.38
Rot. Bonds6

About 1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-phenylpentan-1-one

1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-phenylpentan-1-one (PubChem CID 18289403) has the molecular formula C21H24F2N2O3S and a molecular weight of 422.50 g/mol. Its IUPAC name is 1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-phenylpentan-1-one.

Molecular Properties

Compound Name1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-phenylpentan-1-one
PubChem CID18289403
Molecular FormulaC21H24F2N2O3S
Molecular Weight422.50 g/mol
Exact Mass422.15
IUPAC Name1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-phenylpentan-1-one
SMILESCCCC(C(=O)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)c1ccccc1
InChIInChI=1S/C21H24F2N2O3S/c1-2-6-18(16-7-4-3-5-8-16)21(26)24-11-13-25(14-12-24)29(27,28)20-15-17(22)9-10-19(20)23/h3-5,7-10,15,18H,2,6,11-14H2,1H3
InChIKeyUBLOAYFGHXOXIZ-UHFFFAOYSA-N
XLogP3.38
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-phenylpentanoyl)piperazine-1-sulfonamide
CID 56786878
(2S)-1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-phenylsulfanylpropan-1-one
CID 41275047
(2S)-1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-phenylpentan-1-one
CID 41081879
2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 55411010
benzyl N-[(2S)-1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 41275132
1-[4-(8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-ylsulfonyl)piperazin-1-yl]-2-phenylpentan-1-one
CID 112765372
[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 41275092
(Z)-1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-methylpent-2-en-1-one
CID 55641491
1-(azocan-1-yl)-2-phenylpentan-1-one
CID 55354834
2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-propylacetamide
CID 17451454
1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-3-(2-fluorophenyl)propan-1-one
CID 9371091
(2R)-1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 37000156

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-phenylpentan-1-one?
The IUPAC name of 1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-phenylpentan-1-one (CID 18289403) is 1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-phenylpentan-1-one.
What is the SMILES notation for 1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-phenylpentan-1-one?
The canonical SMILES for 1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-phenylpentan-1-one is CCCC(C(=O)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)c1ccccc1.
What is the InChIKey of 1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-phenylpentan-1-one?
The InChIKey is UBLOAYFGHXOXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N2O3S/c1-2-6-18(16-7-4-3-5-8-16)21(26)24-11-13-25(14-12-24)29(27,28)20-15-17(22)9-10-19(20)23/h3-5,7-10,15,18H,2,6,11-14H2,1H3.
What are the key properties of 1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-phenylpentan-1-one?
1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-phenylpentan-1-one has a molecular weight of 422.50 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-phenylpentan-1-one is sourced from PubChem (CID 18289403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).