1-(2,6-difluorophenyl)-N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide

C16H18F2N4O3S — CID 128999468

IUPAC1-(2,6-difluorophenyl)-N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide
SMILESCn1nccc1N1CCCC(NS(=O)(=O)Cc2c(F)cccc2F)C1=O
InChIInChI=1S/C16H18F2N4O3S/c1-21-15(7-8-19-21)22-9-3-6-14(16(22)23)20-26(24,25)10-11-12(17)4-2-5-13(11)18/h2,4-5,7-8,14,20H,3,6,9-10H2,1H3
InChIKeyOJNIJMHWNBEJQI-UHFFFAOYSA-N
MW384.41 g/mol
LogP1.31
Rot. Bonds5

About 1-(2,6-difluorophenyl)-N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide

1-(2,6-difluorophenyl)-N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide (PubChem CID 128999468) has the molecular formula C16H18F2N4O3S and a molecular weight of 384.41 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide
PubChem CID128999468
Molecular FormulaC16H18F2N4O3S
Molecular Weight384.41 g/mol
Exact Mass384.11
IUPAC Name1-(2,6-difluorophenyl)-N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide
SMILESCn1nccc1N1CCCC(NS(=O)(=O)Cc2c(F)cccc2F)C1=O
InChIInChI=1S/C16H18F2N4O3S/c1-21-15(7-8-19-21)22-9-3-6-14(16(22)23)20-26(24,25)10-11-12(17)4-2-5-13(11)18/h2,4-5,7-8,14,20H,3,6,9-10H2,1H3
InChIKeyOJNIJMHWNBEJQI-UHFFFAOYSA-N
XLogP1.31
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide?
The IUPAC name of 1-(2,6-difluorophenyl)-N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide (CID 128999468) is 1-(2,6-difluorophenyl)-N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide.
What is the SMILES notation for 1-(2,6-difluorophenyl)-N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide?
The canonical SMILES for 1-(2,6-difluorophenyl)-N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide is Cn1nccc1N1CCCC(NS(=O)(=O)Cc2c(F)cccc2F)C1=O.
What is the InChIKey of 1-(2,6-difluorophenyl)-N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide?
The InChIKey is OJNIJMHWNBEJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N4O3S/c1-21-15(7-8-19-21)22-9-3-6-14(16(22)23)20-26(24,25)10-11-12(17)4-2-5-13(11)18/h2,4-5,7-8,14,20H,3,6,9-10H2,1H3.
What are the key properties of 1-(2,6-difluorophenyl)-N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide?
1-(2,6-difluorophenyl)-N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide has a molecular weight of 384.41 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 128999468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).