4-ethoxy-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzenesulfonamide

C21H22N2O4S — CID 87032975

IUPAC4-ethoxy-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCc2ccc(OCc3ccccn3)cc2)cc1
InChIInChI=1S/C21H22N2O4S/c1-2-26-19-10-12-21(13-11-19)28(24,25)23-15-17-6-8-20(9-7-17)27-16-18-5-3-4-14-22-18/h3-14,23H,2,15-16H2,1H3
InChIKeyMXQFTNRSAYOVLP-UHFFFAOYSA-N
MW398.48 g/mol
LogP3.54
Rot. Bonds9

About 4-ethoxy-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzenesulfonamide

4-ethoxy-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzenesulfonamide (PubChem CID 87032975) has the molecular formula C21H22N2O4S and a molecular weight of 398.48 g/mol. Its IUPAC name is 4-ethoxy-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzenesulfonamide
PubChem CID87032975
Molecular FormulaC21H22N2O4S
Molecular Weight398.48 g/mol
Exact Mass398.13
IUPAC Name4-ethoxy-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCc2ccc(OCc3ccccn3)cc2)cc1
InChIInChI=1S/C21H22N2O4S/c1-2-26-19-10-12-21(13-11-19)28(24,25)23-15-17-6-8-20(9-7-17)27-16-18-5-3-4-14-22-18/h3-14,23H,2,15-16H2,1H3
InChIKeyMXQFTNRSAYOVLP-UHFFFAOYSA-N
XLogP3.54
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-ethoxyphenoxy)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 51169949
N-[(4-aminophenyl)methyl]-4-ethoxybenzenesulfonamide
CID 39439996
2,5-dimethyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]thiophene-3-sulfonamide
CID 87032970
N-[(4-ethoxyphenyl)methyl]-4-propan-2-yloxybenzenesulfonamide
CID 110780913
N-[(3,4-diethoxyphenyl)methyl]-4-ethoxybenzenesulfonamide
CID 22206196
4-ethoxy-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 54895795
4-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 731623
4-ethoxy-N-[(4-ethoxy-3-methylphenyl)methyl]benzenesulfonamide
CID 110781958
4-ethoxy-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzenesulfonamide
CID 108782450
4-ethoxy-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide
CID 33040103
N-[(4-ethoxyphenyl)methyl]-4-fluoro-3-methylbenzenesulfonamide
CID 95970982
N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]methanesulfonamide
CID 47064950

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzenesulfonamide (CID 87032975) is 4-ethoxy-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)NCc2ccc(OCc3ccccn3)cc2)cc1.
What is the InChIKey of 4-ethoxy-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzenesulfonamide?
The InChIKey is MXQFTNRSAYOVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4S/c1-2-26-19-10-12-21(13-11-19)28(24,25)23-15-17-6-8-20(9-7-17)27-16-18-5-3-4-14-22-18/h3-14,23H,2,15-16H2,1H3.
What are the key properties of 4-ethoxy-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzenesulfonamide?
4-ethoxy-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzenesulfonamide has a molecular weight of 398.48 g/mol, XLogP of 3.54, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 87032975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).