4-(4-ethoxyphenoxy)-N-(pyridin-2-ylmethyl)benzenesulfonamide

C20H20N2O4S — CID 51169949

IUPAC4-(4-ethoxyphenoxy)-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESCCOc1ccc(Oc2ccc(S(=O)(=O)NCc3ccccn3)cc2)cc1
InChIInChI=1S/C20H20N2O4S/c1-2-25-17-6-8-18(9-7-17)26-19-10-12-20(13-11-19)27(23,24)22-15-16-5-3-4-14-21-16/h3-14,22H,2,15H2,1H3
InChIKeyGMXQRPYVZMPXAS-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.75
Rot. Bonds8

About 4-(4-ethoxyphenoxy)-N-(pyridin-2-ylmethyl)benzenesulfonamide

4-(4-ethoxyphenoxy)-N-(pyridin-2-ylmethyl)benzenesulfonamide (PubChem CID 51169949) has the molecular formula C20H20N2O4S and a molecular weight of 384.46 g/mol. Its IUPAC name is 4-(4-ethoxyphenoxy)-N-(pyridin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-ethoxyphenoxy)-N-(pyridin-2-ylmethyl)benzenesulfonamide
PubChem CID51169949
Molecular FormulaC20H20N2O4S
Molecular Weight384.46 g/mol
Exact Mass384.11
IUPAC Name4-(4-ethoxyphenoxy)-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESCCOc1ccc(Oc2ccc(S(=O)(=O)NCc3ccccn3)cc2)cc1
InChIInChI=1S/C20H20N2O4S/c1-2-25-17-6-8-18(9-7-17)26-19-10-12-20(13-11-19)27(23,24)22-15-16-5-3-4-14-21-16/h3-14,22H,2,15H2,1H3
InChIKeyGMXQRPYVZMPXAS-UHFFFAOYSA-N
XLogP3.75
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzenesulfonamide
CID 87032975
4-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 731623
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-(4-ethoxyphenoxy)benzenesulfonamide
CID 55691577
4-amino-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 3663787
N-[2-(4-ethoxyphenoxy)ethyl]-4-phenoxybenzenesulfonamide
CID 30366250
4-ethoxy-N-[(6-methylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122263634
N-[(2-amino-1,3-thiazol-4-yl)methyl]-4-ethoxybenzenesulfonamide
CID 110718117
3-amino-4-ethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 43257796
6-(methylamino)-N-(pyridin-2-ylmethyl)pyridine-3-sulfonamide
CID 62144545
3-[[[4-(4-ethoxyphenoxy)phenyl]sulfonylamino]methyl]benzenesulfonamide
CID 55681739
1-[(4-ethoxyphenoxy)methyl]-3-(pyridin-2-ylmethyl)urea
CID 108890731
4-(2-aminophenyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 110454351

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenoxy)-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-(4-ethoxyphenoxy)-N-(pyridin-2-ylmethyl)benzenesulfonamide (CID 51169949) is 4-(4-ethoxyphenoxy)-N-(pyridin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-(4-ethoxyphenoxy)-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-(4-ethoxyphenoxy)-N-(pyridin-2-ylmethyl)benzenesulfonamide is CCOc1ccc(Oc2ccc(S(=O)(=O)NCc3ccccn3)cc2)cc1.
What is the InChIKey of 4-(4-ethoxyphenoxy)-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The InChIKey is GMXQRPYVZMPXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S/c1-2-25-17-6-8-18(9-7-17)26-19-10-12-20(13-11-19)27(23,24)22-15-16-5-3-4-14-21-16/h3-14,22H,2,15H2,1H3.
What are the key properties of 4-(4-ethoxyphenoxy)-N-(pyridin-2-ylmethyl)benzenesulfonamide?
4-(4-ethoxyphenoxy)-N-(pyridin-2-ylmethyl)benzenesulfonamide has a molecular weight of 384.46 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenoxy)-N-(pyridin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 51169949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).