2-chloro-6-fluoro-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide

C18H20ClFN4O3S — CID 25285123

IUPAC2-chloro-6-fluoro-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide
SMILESO=C(NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)c1c(F)cccc1Cl
InChIInChI=1S/C18H20ClFN4O3S/c19-14-4-3-5-15(20)17(14)18(25)22-8-13-28(26,27)24-11-9-23(10-12-24)16-6-1-2-7-21-16/h1-7H,8-13H2,(H,22,25)
InChIKeyKDJIURJOUKGGPD-UHFFFAOYSA-N
MW426.90 g/mol
LogP1.76
Rot. Bonds6

About 2-chloro-6-fluoro-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide

2-chloro-6-fluoro-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide (PubChem CID 25285123) has the molecular formula C18H20ClFN4O3S and a molecular weight of 426.90 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide
PubChem CID25285123
Molecular FormulaC18H20ClFN4O3S
Molecular Weight426.90 g/mol
Exact Mass426.09
IUPAC Name2-chloro-6-fluoro-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide
SMILESO=C(NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)c1c(F)cccc1Cl
InChIInChI=1S/C18H20ClFN4O3S/c19-14-4-3-5-15(20)17(14)18(25)22-8-13-28(26,27)24-11-9-23(10-12-24)16-6-1-2-7-21-16/h1-7H,8-13H2,(H,22,25)
InChIKeyKDJIURJOUKGGPD-UHFFFAOYSA-N
XLogP1.76
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.90
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide (CID 25285123) is 2-chloro-6-fluoro-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide is O=C(NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide?
The InChIKey is KDJIURJOUKGGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN4O3S/c19-14-4-3-5-15(20)17(14)18(25)22-8-13-28(26,27)24-11-9-23(10-12-24)16-6-1-2-7-21-16/h1-7H,8-13H2,(H,22,25).
What are the key properties of 2-chloro-6-fluoro-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide?
2-chloro-6-fluoro-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide has a molecular weight of 426.90 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide is sourced from PubChem (CID 25285123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).