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

C16H25FN2O4S — CID 16887628

IUPAC3-fluoro-4-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzenesulfonamide
SMILESCOCCN1CCC(CNS(=O)(=O)c2ccc(OC)c(F)c2)CC1
InChIInChI=1S/C16H25FN2O4S/c1-22-10-9-19-7-5-13(6-8-19)12-18-24(20,21)14-3-4-16(23-2)15(17)11-14/h3-4,11,13,18H,5-10,12H2,1-2H3
InChIKeyRXFXNBRDQFZKJV-UHFFFAOYSA-N
MW360.45 g/mol
LogP1.47
Rot. Bonds8

About 3-fluoro-4-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzenesulfonamide

3-fluoro-4-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzenesulfonamide (PubChem CID 16887628) has the molecular formula C16H25FN2O4S and a molecular weight of 360.45 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzenesulfonamide
PubChem CID16887628
Molecular FormulaC16H25FN2O4S
Molecular Weight360.45 g/mol
Exact Mass360.15
IUPAC Name3-fluoro-4-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzenesulfonamide
SMILESCOCCN1CCC(CNS(=O)(=O)c2ccc(OC)c(F)c2)CC1
InChIInChI=1S/C16H25FN2O4S/c1-22-10-9-19-7-5-13(6-8-19)12-18-24(20,21)14-3-4-16(23-2)15(17)11-14/h3-4,11,13,18H,5-10,12H2,1-2H3
InChIKeyRXFXNBRDQFZKJV-UHFFFAOYSA-N
XLogP1.47
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzenesulfonamide?
The IUPAC name of 3-fluoro-4-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzenesulfonamide (CID 16887628) is 3-fluoro-4-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzenesulfonamide is COCCN1CCC(CNS(=O)(=O)c2ccc(OC)c(F)c2)CC1.
What is the InChIKey of 3-fluoro-4-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzenesulfonamide?
The InChIKey is RXFXNBRDQFZKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O4S/c1-22-10-9-19-7-5-13(6-8-19)12-18-24(20,21)14-3-4-16(23-2)15(17)11-14/h3-4,11,13,18H,5-10,12H2,1-2H3.
What are the key properties of 3-fluoro-4-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzenesulfonamide?
3-fluoro-4-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzenesulfonamide has a molecular weight of 360.45 g/mol, XLogP of 1.47, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 16887628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).