2,5-difluoro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzenesulfonamide

C15H22F2N2O3S — CID 16887602

IUPAC2,5-difluoro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzenesulfonamide
SMILESCOCCN1CCC(CNS(=O)(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C15H22F2N2O3S/c1-22-9-8-19-6-4-12(5-7-19)11-18-23(20,21)15-10-13(16)2-3-14(15)17/h2-3,10,12,18H,4-9,11H2,1H3
InChIKeyQVCYBQXBDXPEHC-UHFFFAOYSA-N
MW348.42 g/mol
LogP1.60
Rot. Bonds7

About 2,5-difluoro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzenesulfonamide

2,5-difluoro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzenesulfonamide (PubChem CID 16887602) has the molecular formula C15H22F2N2O3S and a molecular weight of 348.42 g/mol. Its IUPAC name is 2,5-difluoro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzenesulfonamide
PubChem CID16887602
Molecular FormulaC15H22F2N2O3S
Molecular Weight348.42 g/mol
Exact Mass348.13
IUPAC Name2,5-difluoro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzenesulfonamide
SMILESCOCCN1CCC(CNS(=O)(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C15H22F2N2O3S/c1-22-9-8-19-6-4-12(5-7-19)11-18-23(20,21)15-10-13(16)2-3-14(15)17/h2-3,10,12,18H,4-9,11H2,1H3
InChIKeyQVCYBQXBDXPEHC-UHFFFAOYSA-N
XLogP1.60
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzenesulfonamide (CID 16887602) is 2,5-difluoro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzenesulfonamide is COCCN1CCC(CNS(=O)(=O)c2cc(F)ccc2F)CC1.
What is the InChIKey of 2,5-difluoro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzenesulfonamide?
The InChIKey is QVCYBQXBDXPEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O3S/c1-22-9-8-19-6-4-12(5-7-19)11-18-23(20,21)15-10-13(16)2-3-14(15)17/h2-3,10,12,18H,4-9,11H2,1H3.
What are the key properties of 2,5-difluoro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzenesulfonamide?
2,5-difluoro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzenesulfonamide has a molecular weight of 348.42 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 16887602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).