2,6-difluoro-N-[2-(4-methylsulfonylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide

C14H18F2N2O5S2 — CID 90586387

IUPAC2,6-difluoro-N-[2-(4-methylsulfonylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
SMILESCS(=O)(=O)C1CCN(C(=O)CNS(=O)(=O)c2c(F)cccc2F)CC1
InChIInChI=1S/C14H18F2N2O5S2/c1-24(20,21)10-5-7-18(8-6-10)13(19)9-17-25(22,23)14-11(15)3-2-4-12(14)16/h2-4,10,17H,5-9H2,1H3
InChIKeyNELPHFBKFJEKLV-UHFFFAOYSA-N
MW396.44 g/mol
LogP0.28
Rot. Bonds5

About 2,6-difluoro-N-[2-(4-methylsulfonylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide

2,6-difluoro-N-[2-(4-methylsulfonylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide (PubChem CID 90586387) has the molecular formula C14H18F2N2O5S2 and a molecular weight of 396.44 g/mol. Its IUPAC name is 2,6-difluoro-N-[2-(4-methylsulfonylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,6-difluoro-N-[2-(4-methylsulfonylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
PubChem CID90586387
Molecular FormulaC14H18F2N2O5S2
Molecular Weight396.44 g/mol
Exact Mass396.06
IUPAC Name2,6-difluoro-N-[2-(4-methylsulfonylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
SMILESCS(=O)(=O)C1CCN(C(=O)CNS(=O)(=O)c2c(F)cccc2F)CC1
InChIInChI=1S/C14H18F2N2O5S2/c1-24(20,21)10-5-7-18(8-6-10)13(19)9-17-25(22,23)14-11(15)3-2-4-12(14)16/h2-4,10,17H,5-9H2,1H3
InChIKeyNELPHFBKFJEKLV-UHFFFAOYSA-N
XLogP0.28
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-difluoro-N-[2-(3-methylsulfonylpyrrolidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 90586879
2,6-difluoro-N-[2-(4-methylazepan-1-yl)-2-oxoethyl]benzenesulfonamide
CID 146122653
2,6-difluoro-N-[2-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 90590475
2,6-difluoro-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 8713521
2,6-difluoro-N-[3-methyl-1-(3-methylsulfonylpyrrolidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide
CID 90586881
2,6-difluoro-N-[3-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 90589644
2-[1-[2-[(2,6-dichlorophenyl)sulfonylamino]acetyl]piperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592587
3-methoxy-N-[2-(4-methylsulfonylpiperidin-1-yl)-2-oxoethyl]benzamide
CID 90586455
3-chloro-4-fluoro-N-[2-[4-(2-methylpropylsulfonyl)piperidin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 90590085
2-fluoro-N-[2-(3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]benzenesulfonamide
CID 90590908
2,3,5,6-tetramethyl-N-[3-(4-methylsulfonylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 90586392
N-[2-[4-[(3,4-dimethylphenyl)methyl]piperidin-1-yl]-2-oxoethyl]-2-fluorobenzenesulfonamide
CID 146098829

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[2-(4-methylsulfonylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide?
The IUPAC name of 2,6-difluoro-N-[2-(4-methylsulfonylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide (CID 90586387) is 2,6-difluoro-N-[2-(4-methylsulfonylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide.
What is the SMILES notation for 2,6-difluoro-N-[2-(4-methylsulfonylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide?
The canonical SMILES for 2,6-difluoro-N-[2-(4-methylsulfonylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide is CS(=O)(=O)C1CCN(C(=O)CNS(=O)(=O)c2c(F)cccc2F)CC1.
What is the InChIKey of 2,6-difluoro-N-[2-(4-methylsulfonylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide?
The InChIKey is NELPHFBKFJEKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O5S2/c1-24(20,21)10-5-7-18(8-6-10)13(19)9-17-25(22,23)14-11(15)3-2-4-12(14)16/h2-4,10,17H,5-9H2,1H3.
What are the key properties of 2,6-difluoro-N-[2-(4-methylsulfonylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide?
2,6-difluoro-N-[2-(4-methylsulfonylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide has a molecular weight of 396.44 g/mol, XLogP of 0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[2-(4-methylsulfonylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide is sourced from PubChem (CID 90586387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).