3-methoxy-N-[4-(3-methoxyphenoxy)phenyl]benzenesulfonamide

C20H19NO5S — CID 134138057

IUPAC3-methoxy-N-[4-(3-methoxyphenoxy)phenyl]benzenesulfonamide
SMILESCOc1cccc(Oc2ccc(NS(=O)(=O)c3cccc(OC)c3)cc2)c1
InChIInChI=1S/C20H19NO5S/c1-24-17-5-3-7-19(13-17)26-16-11-9-15(10-12-16)21-27(22,23)20-8-4-6-18(14-20)25-2/h3-14,21H,1-2H3
InChIKeyCMCDAZPKZQXEFZ-UHFFFAOYSA-N
MW385.44 g/mol
LogP4.30
Rot. Bonds7

About 3-methoxy-N-[4-(3-methoxyphenoxy)phenyl]benzenesulfonamide

3-methoxy-N-[4-(3-methoxyphenoxy)phenyl]benzenesulfonamide (PubChem CID 134138057) has the molecular formula C20H19NO5S and a molecular weight of 385.44 g/mol. Its IUPAC name is 3-methoxy-N-[4-(3-methoxyphenoxy)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-methoxy-N-[4-(3-methoxyphenoxy)phenyl]benzenesulfonamide
PubChem CID134138057
Molecular FormulaC20H19NO5S
Molecular Weight385.44 g/mol
Exact Mass385.10
IUPAC Name3-methoxy-N-[4-(3-methoxyphenoxy)phenyl]benzenesulfonamide
SMILESCOc1cccc(Oc2ccc(NS(=O)(=O)c3cccc(OC)c3)cc2)c1
InChIInChI=1S/C20H19NO5S/c1-24-17-5-3-7-19(13-17)26-16-11-9-15(10-12-16)21-27(22,23)20-8-4-6-18(14-20)25-2/h3-14,21H,1-2H3
InChIKeyCMCDAZPKZQXEFZ-UHFFFAOYSA-N
XLogP4.30
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[4-(3-methoxyphenoxy)phenyl]benzenesulfonamide?
The IUPAC name of 3-methoxy-N-[4-(3-methoxyphenoxy)phenyl]benzenesulfonamide (CID 134138057) is 3-methoxy-N-[4-(3-methoxyphenoxy)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-methoxy-N-[4-(3-methoxyphenoxy)phenyl]benzenesulfonamide?
The canonical SMILES for 3-methoxy-N-[4-(3-methoxyphenoxy)phenyl]benzenesulfonamide is COc1cccc(Oc2ccc(NS(=O)(=O)c3cccc(OC)c3)cc2)c1.
What is the InChIKey of 3-methoxy-N-[4-(3-methoxyphenoxy)phenyl]benzenesulfonamide?
The InChIKey is CMCDAZPKZQXEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5S/c1-24-17-5-3-7-19(13-17)26-16-11-9-15(10-12-16)21-27(22,23)20-8-4-6-18(14-20)25-2/h3-14,21H,1-2H3.
What are the key properties of 3-methoxy-N-[4-(3-methoxyphenoxy)phenyl]benzenesulfonamide?
3-methoxy-N-[4-(3-methoxyphenoxy)phenyl]benzenesulfonamide has a molecular weight of 385.44 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[4-(3-methoxyphenoxy)phenyl]benzenesulfonamide is sourced from PubChem (CID 134138057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).