1-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]pentan-1-one

C15H20F2N2O3S — CID 78780026

IUPAC1-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C15H20F2N2O3S/c1-2-3-4-15(20)18-7-9-19(10-8-18)23(21,22)12-5-6-13(16)14(17)11-12/h5-6,11H,2-4,7-10H2,1H3
InChIKeyRJVKBEOHPCSJDE-UHFFFAOYSA-N
MW346.40 g/mol
LogP1.99
Rot. Bonds5

About 1-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]pentan-1-one

1-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]pentan-1-one (PubChem CID 78780026) has the molecular formula C15H20F2N2O3S and a molecular weight of 346.40 g/mol. Its IUPAC name is 1-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]pentan-1-one.

Molecular Properties

Compound Name1-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]pentan-1-one
PubChem CID78780026
Molecular FormulaC15H20F2N2O3S
Molecular Weight346.40 g/mol
Exact Mass346.12
IUPAC Name1-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C15H20F2N2O3S/c1-2-3-4-15(20)18-7-9-19(10-8-18)23(21,22)12-5-6-13(16)14(17)11-12/h5-6,11H,2-4,7-10H2,1H3
InChIKeyRJVKBEOHPCSJDE-UHFFFAOYSA-N
XLogP1.99
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]hexan-1-one
CID 78780039
1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]pentan-1-one
CID 78781800
1-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-3,3-dimethylbutan-1-one
CID 38700227
1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pentan-1-one
CID 17191316
1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]pentan-1-one
CID 110797246
1-[4-(4-fluoro-3-methylphenyl)sulfonyl-1,4-diazepan-1-yl]butan-1-one
CID 110796728
1-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]pentan-1-one
CID 110817644
1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pentan-1-one
CID 78780067
1-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-3-(4-propan-2-ylphenyl)propan-1-one
CID 46489797
1-[4-(3-methylphenyl)sulfonyl-1,4-diazepan-1-yl]pentan-1-one
CID 110797265
1-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one
CID 87040560
N-butyl-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 30172353

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]pentan-1-one?
The IUPAC name of 1-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]pentan-1-one (CID 78780026) is 1-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]pentan-1-one.
What is the SMILES notation for 1-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]pentan-1-one?
The canonical SMILES for 1-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]pentan-1-one is CCCCC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1.
What is the InChIKey of 1-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]pentan-1-one?
The InChIKey is RJVKBEOHPCSJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O3S/c1-2-3-4-15(20)18-7-9-19(10-8-18)23(21,22)12-5-6-13(16)14(17)11-12/h5-6,11H,2-4,7-10H2,1H3.
What are the key properties of 1-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]pentan-1-one?
1-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]pentan-1-one has a molecular weight of 346.40 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]pentan-1-one is sourced from PubChem (CID 78780026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).