2-[4-[[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]amino]piperidin-1-yl]-N-methylacetamide

C16H24ClFN4O3S — CID 112820169

IUPAC2-[4-[[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]amino]piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(NS(=O)(=O)N(C)Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C16H24ClFN4O3S/c1-19-16(23)11-22-8-6-12(7-9-22)20-26(24,25)21(2)10-13-14(17)4-3-5-15(13)18/h3-5,12,20H,6-11H2,1-2H3,(H,19,23)
InChIKeyLSACQPCGTSZDLW-UHFFFAOYSA-N
MW406.91 g/mol
LogP0.96
Rot. Bonds7

About 2-[4-[[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]amino]piperidin-1-yl]-N-methylacetamide

2-[4-[[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]amino]piperidin-1-yl]-N-methylacetamide (PubChem CID 112820169) has the molecular formula C16H24ClFN4O3S and a molecular weight of 406.91 g/mol. Its IUPAC name is 2-[4-[[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]amino]piperidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]amino]piperidin-1-yl]-N-methylacetamide
PubChem CID112820169
Molecular FormulaC16H24ClFN4O3S
Molecular Weight406.91 g/mol
Exact Mass406.12
IUPAC Name2-[4-[[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]amino]piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(NS(=O)(=O)N(C)Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C16H24ClFN4O3S/c1-19-16(23)11-22-8-6-12(7-9-22)20-26(24,25)21(2)10-13-14(17)4-3-5-15(13)18/h3-5,12,20H,6-11H2,1-2H3,(H,19,23)
InChIKeyLSACQPCGTSZDLW-UHFFFAOYSA-N
XLogP0.96
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.91
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]amino]piperidin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-[[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]amino]piperidin-1-yl]-N-methylacetamide (CID 112820169) is 2-[4-[[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]amino]piperidin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]amino]piperidin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-[[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]amino]piperidin-1-yl]-N-methylacetamide is CNC(=O)CN1CCC(NS(=O)(=O)N(C)Cc2c(F)cccc2Cl)CC1.
What is the InChIKey of 2-[4-[[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]amino]piperidin-1-yl]-N-methylacetamide?
The InChIKey is LSACQPCGTSZDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClFN4O3S/c1-19-16(23)11-22-8-6-12(7-9-22)20-26(24,25)21(2)10-13-14(17)4-3-5-15(13)18/h3-5,12,20H,6-11H2,1-2H3,(H,19,23).
What are the key properties of 2-[4-[[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]amino]piperidin-1-yl]-N-methylacetamide?
2-[4-[[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]amino]piperidin-1-yl]-N-methylacetamide has a molecular weight of 406.91 g/mol, XLogP of 0.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]amino]piperidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 112820169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).