N-[4-(phenoxymethyl)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide

C21H22N2O3S — CID 23521734

IUPACN-[4-(phenoxymethyl)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide
SMILESCCS(=O)(=O)N(Cc1cccnc1)c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C21H22N2O3S/c1-2-27(24,25)23(16-19-7-6-14-22-15-19)20-12-10-18(11-13-20)17-26-21-8-4-3-5-9-21/h3-15H,2,16-17H2,1H3
InChIKeyUWKTUBAIUVAJLH-UHFFFAOYSA-N
MW382.49 g/mol
LogP4.02
Rot. Bonds8

About N-[4-(phenoxymethyl)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide

N-[4-(phenoxymethyl)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide (PubChem CID 23521734) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-[4-(phenoxymethyl)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide.

Molecular Properties

Compound NameN-[4-(phenoxymethyl)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide
PubChem CID23521734
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC NameN-[4-(phenoxymethyl)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide
SMILESCCS(=O)(=O)N(Cc1cccnc1)c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C21H22N2O3S/c1-2-27(24,25)23(16-19-7-6-14-22-15-19)20-12-10-18(11-13-20)17-26-21-8-4-3-5-9-21/h3-15H,2,16-17H2,1H3
InChIKeyUWKTUBAIUVAJLH-UHFFFAOYSA-N
XLogP4.02
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(phenoxymethyl)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide?
The IUPAC name of N-[4-(phenoxymethyl)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide (CID 23521734) is N-[4-(phenoxymethyl)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide.
What is the SMILES notation for N-[4-(phenoxymethyl)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide?
The canonical SMILES for N-[4-(phenoxymethyl)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide is CCS(=O)(=O)N(Cc1cccnc1)c1ccc(COc2ccccc2)cc1.
What is the InChIKey of N-[4-(phenoxymethyl)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide?
The InChIKey is UWKTUBAIUVAJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S/c1-2-27(24,25)23(16-19-7-6-14-22-15-19)20-12-10-18(11-13-20)17-26-21-8-4-3-5-9-21/h3-15H,2,16-17H2,1H3.
What are the key properties of N-[4-(phenoxymethyl)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide?
N-[4-(phenoxymethyl)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide has a molecular weight of 382.49 g/mol, XLogP of 4.02, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(phenoxymethyl)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide is sourced from PubChem (CID 23521734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).