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

C20H25FN2O4S — CID 127026119

IUPAC4-fluoro-N-[1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
SMILESCOc1ccccc1OCCN1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H25FN2O4S/c1-26-19-4-2-3-5-20(19)27-15-14-23-12-10-17(11-13-23)22-28(24,25)18-8-6-16(21)7-9-18/h2-9,17,22H,10-15H2,1H3
InChIKeyZDMYWBINNHRQSF-UHFFFAOYSA-N
MW408.50 g/mol
LogP2.66
Rot. Bonds8

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

4-fluoro-N-[1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide (PubChem CID 127026119) has the molecular formula C20H25FN2O4S and a molecular weight of 408.50 g/mol. Its IUPAC name is 4-fluoro-N-[1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
PubChem CID127026119
Molecular FormulaC20H25FN2O4S
Molecular Weight408.50 g/mol
Exact Mass408.15
IUPAC Name4-fluoro-N-[1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
SMILESCOc1ccccc1OCCN1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H25FN2O4S/c1-26-19-4-2-3-5-20(19)27-15-14-23-12-10-17(11-13-23)22-28(24,25)18-8-6-16(21)7-9-18/h2-9,17,22H,10-15H2,1H3
InChIKeyZDMYWBINNHRQSF-UHFFFAOYSA-N
XLogP2.66
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide (CID 127026119) is 4-fluoro-N-[1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide is COc1ccccc1OCCN1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 4-fluoro-N-[1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide?
The InChIKey is ZDMYWBINNHRQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O4S/c1-26-19-4-2-3-5-20(19)27-15-14-23-12-10-17(11-13-23)22-28(24,25)18-8-6-16(21)7-9-18/h2-9,17,22H,10-15H2,1H3.
What are the key properties of 4-fluoro-N-[1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide?
4-fluoro-N-[1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide has a molecular weight of 408.50 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 127026119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).