3,4-dimethoxy-N-[[4-(phenylmethoxymethyl)phenyl]methyl]benzenesulfonamide

C23H25NO5S — CID 39665317

IUPAC3,4-dimethoxy-N-[[4-(phenylmethoxymethyl)phenyl]methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccc(COCc3ccccc3)cc2)cc1OC
InChIInChI=1S/C23H25NO5S/c1-27-22-13-12-21(14-23(22)28-2)30(25,26)24-15-18-8-10-20(11-9-18)17-29-16-19-6-4-3-5-7-19/h3-14,24H,15-17H2,1-2H3
InChIKeyQQTYCYWQPICUBW-UHFFFAOYSA-N
MW427.52 g/mol
LogP3.90
Rot. Bonds10

About 3,4-dimethoxy-N-[[4-(phenylmethoxymethyl)phenyl]methyl]benzenesulfonamide

3,4-dimethoxy-N-[[4-(phenylmethoxymethyl)phenyl]methyl]benzenesulfonamide (PubChem CID 39665317) has the molecular formula C23H25NO5S and a molecular weight of 427.52 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[[4-(phenylmethoxymethyl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[[4-(phenylmethoxymethyl)phenyl]methyl]benzenesulfonamide
PubChem CID39665317
Molecular FormulaC23H25NO5S
Molecular Weight427.52 g/mol
Exact Mass427.15
IUPAC Name3,4-dimethoxy-N-[[4-(phenylmethoxymethyl)phenyl]methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccc(COCc3ccccc3)cc2)cc1OC
InChIInChI=1S/C23H25NO5S/c1-27-22-13-12-21(14-23(22)28-2)30(25,26)24-15-18-8-10-20(11-9-18)17-29-16-19-6-4-3-5-7-19/h3-14,24H,15-17H2,1-2H3
InChIKeyQQTYCYWQPICUBW-UHFFFAOYSA-N
XLogP3.90
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.52
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dimethoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide
CID 46778268
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3,4-dimethoxybenzenesulfonamide
CID 9191426
methyl 4-(benzylsulfamoyl)-2-methoxybenzoate
CID 66601229
1,3-dioxo-N-[[4-(phenylmethoxymethyl)phenyl]methyl]isoindole-5-sulfonamide
CID 56586873
methyl 3-[[(3,4-dimethoxyphenyl)sulfonylamino]methyl]benzoate
CID 44819893
5-(benzylsulfamoyl)-2-methoxy-N-methylbenzamide
CID 6471587
3,4-dimethoxy-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzenesulfonamide
CID 17248759
4-(2-methoxyethoxy)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-methylbenzenesulfonamide
CID 55639172
N-[(3,4-dimethoxyphenyl)methyl]-4-methylsulfonylbenzenesulfonamide
CID 46556031
N-benzyl-4-methoxybenzenesulfonamide
CID 741351
3-cyano-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzenesulfonamide
CID 28534651
2-(3,4-dimethoxyphenyl)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 46464992

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[[4-(phenylmethoxymethyl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-[[4-(phenylmethoxymethyl)phenyl]methyl]benzenesulfonamide (CID 39665317) is 3,4-dimethoxy-N-[[4-(phenylmethoxymethyl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-[[4-(phenylmethoxymethyl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-[[4-(phenylmethoxymethyl)phenyl]methyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCc2ccc(COCc3ccccc3)cc2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[[4-(phenylmethoxymethyl)phenyl]methyl]benzenesulfonamide?
The InChIKey is QQTYCYWQPICUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO5S/c1-27-22-13-12-21(14-23(22)28-2)30(25,26)24-15-18-8-10-20(11-9-18)17-29-16-19-6-4-3-5-7-19/h3-14,24H,15-17H2,1-2H3.
What are the key properties of 3,4-dimethoxy-N-[[4-(phenylmethoxymethyl)phenyl]methyl]benzenesulfonamide?
3,4-dimethoxy-N-[[4-(phenylmethoxymethyl)phenyl]methyl]benzenesulfonamide has a molecular weight of 427.52 g/mol, XLogP of 3.90, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[[4-(phenylmethoxymethyl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 39665317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).