3-(difluoromethoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide

C19H22F2N4O4S — CID 55692196

IUPAC3-(difluoromethoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide
SMILESO=C(NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)c1cccc(OC(F)F)c1
InChIInChI=1S/C19H22F2N4O4S/c20-19(21)29-16-5-3-4-15(14-16)18(26)23-8-13-30(27,28)25-11-9-24(10-12-25)17-6-1-2-7-22-17/h1-7,14,19H,8-13H2,(H,23,26)
InChIKeyAPCLPVHPDJCLNI-UHFFFAOYSA-N
MW440.47 g/mol
LogP1.56
Rot. Bonds8

About 3-(difluoromethoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide

3-(difluoromethoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide (PubChem CID 55692196) has the molecular formula C19H22F2N4O4S and a molecular weight of 440.47 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide
PubChem CID55692196
Molecular FormulaC19H22F2N4O4S
Molecular Weight440.47 g/mol
Exact Mass440.13
IUPAC Name3-(difluoromethoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide
SMILESO=C(NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)c1cccc(OC(F)F)c1
InChIInChI=1S/C19H22F2N4O4S/c20-19(21)29-16-5-3-4-15(14-16)18(26)23-8-13-30(27,28)25-11-9-24(10-12-25)17-6-1-2-7-22-17/h1-7,14,19H,8-13H2,(H,23,26)
InChIKeyAPCLPVHPDJCLNI-UHFFFAOYSA-N
XLogP1.56
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.47
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 10783358
1-(3-methoxyphenyl)-N-(2,3,6-trifluoro-4-(2-(((3S,5S)-5-fluoro-piperidin-3-yl)amino)-8-isopropyl-7-oxo-7,8-dihydropyrido[2,3-d]-pyrimidin-6-yl)phenyl)-methane sulfonamide hydrochloride
CID 153634506
(3-Methoxy-phenyl)-(4-pyridin-2-yl-piperazin-1-yl)-methanone
CID 790124
N-[[1-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]piperidin-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 44390227
N-[6-(Cyclohexanecarbonyl-amino)-pyridin-3-yl]-3-methoxy-benzamide
CID 1452688
N-(2-(4-(3-cyanopyridin-2-yl)piperazin-1-yl)ethyl)-3-methoxybenzamide
CID 49788869
US10450297, Example 49
CID 57584470
US10450297, Example 48
CID 57584759
3-Methoxy-N-(5-propionylamino-pyridin-2-yl)-benzamide
CID 646424
N-(6-Isobutyrylamino-pyridin-3-yl)-3-methoxy-benzamide
CID 652539
N-[5-(2,2-Dimethyl-propionylamino)-pyridin-2-yl]-3-methoxy-benzamide
CID 653989
[3-(Difluoromethoxy)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2999574

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide?
The IUPAC name of 3-(difluoromethoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide (CID 55692196) is 3-(difluoromethoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide.
What is the SMILES notation for 3-(difluoromethoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide?
The canonical SMILES for 3-(difluoromethoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide is O=C(NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)c1cccc(OC(F)F)c1.
What is the InChIKey of 3-(difluoromethoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide?
The InChIKey is APCLPVHPDJCLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N4O4S/c20-19(21)29-16-5-3-4-15(14-16)18(26)23-8-13-30(27,28)25-11-9-24(10-12-25)17-6-1-2-7-22-17/h1-7,14,19H,8-13H2,(H,23,26).
What are the key properties of 3-(difluoromethoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide?
3-(difluoromethoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide has a molecular weight of 440.47 g/mol, XLogP of 1.56, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide is sourced from PubChem (CID 55692196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).