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

C19H23FN2O3S — CID 37219401

IUPAC4-fluoro-N-[1-(2-phenoxyethyl)piperidin-4-yl]benzenesulfonamide
SMILESO=S(=O)(NC1CCN(CCOc2ccccc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C19H23FN2O3S/c20-16-6-8-19(9-7-16)26(23,24)21-17-10-12-22(13-11-17)14-15-25-18-4-2-1-3-5-18/h1-9,17,21H,10-15H2
InChIKeyFPJQZQVJJJZJAW-UHFFFAOYSA-N
MW378.47 g/mol
LogP2.65
Rot. Bonds7

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

4-fluoro-N-[1-(2-phenoxyethyl)piperidin-4-yl]benzenesulfonamide (PubChem CID 37219401) has the molecular formula C19H23FN2O3S and a molecular weight of 378.47 g/mol. Its IUPAC name is 4-fluoro-N-[1-(2-phenoxyethyl)piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[1-(2-phenoxyethyl)piperidin-4-yl]benzenesulfonamide
PubChem CID37219401
Molecular FormulaC19H23FN2O3S
Molecular Weight378.47 g/mol
Exact Mass378.14
IUPAC Name4-fluoro-N-[1-(2-phenoxyethyl)piperidin-4-yl]benzenesulfonamide
SMILESO=S(=O)(NC1CCN(CCOc2ccccc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C19H23FN2O3S/c20-16-6-8-19(9-7-16)26(23,24)21-17-10-12-22(13-11-17)14-15-25-18-4-2-1-3-5-18/h1-9,17,21H,10-15H2
InChIKeyFPJQZQVJJJZJAW-UHFFFAOYSA-N
XLogP2.65
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-(2-phenoxyethyl)piperidin-4-yl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[1-(2-phenoxyethyl)piperidin-4-yl]benzenesulfonamide (CID 37219401) is 4-fluoro-N-[1-(2-phenoxyethyl)piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[1-(2-phenoxyethyl)piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[1-(2-phenoxyethyl)piperidin-4-yl]benzenesulfonamide is O=S(=O)(NC1CCN(CCOc2ccccc2)CC1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[1-(2-phenoxyethyl)piperidin-4-yl]benzenesulfonamide?
The InChIKey is FPJQZQVJJJZJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3S/c20-16-6-8-19(9-7-16)26(23,24)21-17-10-12-22(13-11-17)14-15-25-18-4-2-1-3-5-18/h1-9,17,21H,10-15H2.
What are the key properties of 4-fluoro-N-[1-(2-phenoxyethyl)piperidin-4-yl]benzenesulfonamide?
4-fluoro-N-[1-(2-phenoxyethyl)piperidin-4-yl]benzenesulfonamide has a molecular weight of 378.47 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-(2-phenoxyethyl)piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 37219401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).