3,4-dimethoxy-N-[3-(pyridin-2-ylmethoxy)phenyl]benzenesulfonamide

C20H20N2O5S — CID 43069653

IUPAC3,4-dimethoxy-N-[3-(pyridin-2-ylmethoxy)phenyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(OCc3ccccn3)c2)cc1OC
InChIInChI=1S/C20H20N2O5S/c1-25-19-10-9-18(13-20(19)26-2)28(23,24)22-15-7-5-8-17(12-15)27-14-16-6-3-4-11-21-16/h3-13,22H,14H2,1-2H3
InChIKeyNVIQJJWWLNARGE-UHFFFAOYSA-N
MW400.46 g/mol
LogP3.48
Rot. Bonds8

About 3,4-dimethoxy-N-[3-(pyridin-2-ylmethoxy)phenyl]benzenesulfonamide

3,4-dimethoxy-N-[3-(pyridin-2-ylmethoxy)phenyl]benzenesulfonamide (PubChem CID 43069653) has the molecular formula C20H20N2O5S and a molecular weight of 400.46 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[3-(pyridin-2-ylmethoxy)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[3-(pyridin-2-ylmethoxy)phenyl]benzenesulfonamide
PubChem CID43069653
Molecular FormulaC20H20N2O5S
Molecular Weight400.46 g/mol
Exact Mass400.11
IUPAC Name3,4-dimethoxy-N-[3-(pyridin-2-ylmethoxy)phenyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(OCc3ccccn3)c2)cc1OC
InChIInChI=1S/C20H20N2O5S/c1-25-19-10-9-18(13-20(19)26-2)28(23,24)22-15-7-5-8-17(12-15)27-14-16-6-3-4-11-21-16/h3-13,22H,14H2,1-2H3
InChIKeyNVIQJJWWLNARGE-UHFFFAOYSA-N
XLogP3.48
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[3-(pyridin-2-ylmethoxy)phenyl]sulfamoyl]benzoic acid
CID 55645126
N-[3-(pyridin-2-ylmethoxy)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 43069660
2-methylsulfonyl-N-[3-(pyridin-2-ylmethoxy)phenyl]benzenesulfonamide
CID 55645155
N-[3-(pyridin-2-ylmethoxy)phenyl]thiophene-2-sulfonamide
CID 39839792
2,3-dichloro-N-[3-(pyridin-2-ylmethoxy)phenyl]benzenesulfonamide
CID 43069625
4-methyl-N-[3-(2-pyridin-2-ylethoxy)phenyl]benzenesulfonamide
CID 169372850
3,4-dimethoxy-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide
CID 122302279
N-[3-(methanesulfonamido)phenyl]-3,4-dimethoxybenzenesulfonamide
CID 25331173
N-(3-aminophenyl)-3,4-dimethoxybenzenesulfonamide
CID 17217527
3-[(4-fluorophenyl)sulfamoyl]-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide
CID 38669447
N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-4-methylbenzenesulfonamide
CID 52782034
(E)-2-phenyl-N-[3-(pyridin-2-ylmethoxy)phenyl]ethenesulfonamide
CID 43069636

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[3-(pyridin-2-ylmethoxy)phenyl]benzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-[3-(pyridin-2-ylmethoxy)phenyl]benzenesulfonamide (CID 43069653) is 3,4-dimethoxy-N-[3-(pyridin-2-ylmethoxy)phenyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-[3-(pyridin-2-ylmethoxy)phenyl]benzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-[3-(pyridin-2-ylmethoxy)phenyl]benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cccc(OCc3ccccn3)c2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[3-(pyridin-2-ylmethoxy)phenyl]benzenesulfonamide?
The InChIKey is NVIQJJWWLNARGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5S/c1-25-19-10-9-18(13-20(19)26-2)28(23,24)22-15-7-5-8-17(12-15)27-14-16-6-3-4-11-21-16/h3-13,22H,14H2,1-2H3.
What are the key properties of 3,4-dimethoxy-N-[3-(pyridin-2-ylmethoxy)phenyl]benzenesulfonamide?
3,4-dimethoxy-N-[3-(pyridin-2-ylmethoxy)phenyl]benzenesulfonamide has a molecular weight of 400.46 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[3-(pyridin-2-ylmethoxy)phenyl]benzenesulfonamide is sourced from PubChem (CID 43069653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).