2-fluoro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzenesulfonamide

C15H23FN2O3S — CID 16887604

IUPAC2-fluoro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzenesulfonamide
SMILESCOCCN1CCC(CNS(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C15H23FN2O3S/c1-21-11-10-18-8-6-13(7-9-18)12-17-22(19,20)15-5-3-2-4-14(15)16/h2-5,13,17H,6-12H2,1H3
InChIKeyKILBAILJPMOQBQ-UHFFFAOYSA-N
MW330.42 g/mol
LogP1.46
Rot. Bonds7

About 2-fluoro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzenesulfonamide

2-fluoro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzenesulfonamide (PubChem CID 16887604) has the molecular formula C15H23FN2O3S and a molecular weight of 330.42 g/mol. Its IUPAC name is 2-fluoro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzenesulfonamide
PubChem CID16887604
Molecular FormulaC15H23FN2O3S
Molecular Weight330.42 g/mol
Exact Mass330.14
IUPAC Name2-fluoro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzenesulfonamide
SMILESCOCCN1CCC(CNS(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C15H23FN2O3S/c1-21-11-10-18-8-6-13(7-9-18)12-17-22(19,20)15-5-3-2-4-14(15)16/h2-5,13,17H,6-12H2,1H3
InChIKeyKILBAILJPMOQBQ-UHFFFAOYSA-N
XLogP1.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzenesulfonamide (CID 16887604) is 2-fluoro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzenesulfonamide is COCCN1CCC(CNS(=O)(=O)c2ccccc2F)CC1.
What is the InChIKey of 2-fluoro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzenesulfonamide?
The InChIKey is KILBAILJPMOQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O3S/c1-21-11-10-18-8-6-13(7-9-18)12-17-22(19,20)15-5-3-2-4-14(15)16/h2-5,13,17H,6-12H2,1H3.
What are the key properties of 2-fluoro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzenesulfonamide?
2-fluoro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzenesulfonamide has a molecular weight of 330.42 g/mol, XLogP of 1.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 16887604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).