2,4-difluoro-N-[2-oxo-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethyl]benzamide

C18H18F2N4O4S — CID 55638612

IUPAC2,4-difluoro-N-[2-oxo-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethyl]benzamide
SMILESO=C(NCC(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1)c1ccc(F)cc1F
InChIInChI=1S/C18H18F2N4O4S/c19-13-3-4-15(16(20)10-13)18(26)22-12-17(25)23-6-8-24(9-7-23)29(27,28)14-2-1-5-21-11-14/h1-5,10-11H,6-9,12H2,(H,22,26)
InChIKeyMYRFUCAKLQVFJV-UHFFFAOYSA-N
MW424.43 g/mol
LogP0.62
Rot. Bonds5

About 2,4-difluoro-N-[2-oxo-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethyl]benzamide

2,4-difluoro-N-[2-oxo-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethyl]benzamide (PubChem CID 55638612) has the molecular formula C18H18F2N4O4S and a molecular weight of 424.43 g/mol. Its IUPAC name is 2,4-difluoro-N-[2-oxo-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[2-oxo-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethyl]benzamide
PubChem CID55638612
Molecular FormulaC18H18F2N4O4S
Molecular Weight424.43 g/mol
Exact Mass424.10
IUPAC Name2,4-difluoro-N-[2-oxo-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethyl]benzamide
SMILESO=C(NCC(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1)c1ccc(F)cc1F
InChIInChI=1S/C18H18F2N4O4S/c19-13-3-4-15(16(20)10-13)18(26)22-12-17(25)23-6-8-24(9-7-23)29(27,28)14-2-1-5-21-11-14/h1-5,10-11H,6-9,12H2,(H,22,26)
InChIKeyMYRFUCAKLQVFJV-UHFFFAOYSA-N
XLogP0.62
TPSA99.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.43
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-2-fluorobenzamide
CID 27510219
N-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]-2,4-difluorobenzamide
CID 134020822
N-[4-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-4-oxobutyl]-2,4-difluorobenzamide
CID 26418691
N-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-3-methylbenzamide
CID 9369355
N-[3-oxo-3-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propyl]naphthalene-2-carboxamide
CID 55614190
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(2,5-difluoroanilino)ethanone
CID 51252716
(2,4-difluorophenyl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 4805726
2,4-difluoro-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]benzamide
CID 51192228
N-[2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2-fluorobenzamide
CID 46581941
2-morpholin-4-yl-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanone
CID 55824192
2,5-dichloro-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]benzamide
CID 90521613
3-fluoro-N-[2-oxo-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]ethyl]benzamide
CID 24543792

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[2-oxo-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[2-oxo-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethyl]benzamide (CID 55638612) is 2,4-difluoro-N-[2-oxo-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[2-oxo-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[2-oxo-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethyl]benzamide is O=C(NCC(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[2-oxo-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethyl]benzamide?
The InChIKey is MYRFUCAKLQVFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4O4S/c19-13-3-4-15(16(20)10-13)18(26)22-12-17(25)23-6-8-24(9-7-23)29(27,28)14-2-1-5-21-11-14/h1-5,10-11H,6-9,12H2,(H,22,26).
What are the key properties of 2,4-difluoro-N-[2-oxo-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethyl]benzamide?
2,4-difluoro-N-[2-oxo-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethyl]benzamide has a molecular weight of 424.43 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[2-oxo-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethyl]benzamide is sourced from PubChem (CID 55638612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).