2,6-dimethoxy-N-[[4-(4-methoxyphenyl)phenyl]methyl]benzenesulfonamide

C22H23NO5S — CID 166221599

IUPAC2,6-dimethoxy-N-[[4-(4-methoxyphenyl)phenyl]methyl]benzenesulfonamide
SMILESCOc1ccc(-c2ccc(CNS(=O)(=O)c3c(OC)cccc3OC)cc2)cc1
InChIInChI=1S/C22H23NO5S/c1-26-19-13-11-18(12-14-19)17-9-7-16(8-10-17)15-23-29(24,25)22-20(27-2)5-4-6-21(22)28-3/h4-14,23H,15H2,1-3H3
InChIKeySTTVPBQVBOORON-UHFFFAOYSA-N
MW413.50 g/mol
LogP3.86
Rot. Bonds8

About 2,6-dimethoxy-N-[[4-(4-methoxyphenyl)phenyl]methyl]benzenesulfonamide

2,6-dimethoxy-N-[[4-(4-methoxyphenyl)phenyl]methyl]benzenesulfonamide (PubChem CID 166221599) has the molecular formula C22H23NO5S and a molecular weight of 413.50 g/mol. Its IUPAC name is 2,6-dimethoxy-N-[[4-(4-methoxyphenyl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-[[4-(4-methoxyphenyl)phenyl]methyl]benzenesulfonamide
PubChem CID166221599
Molecular FormulaC22H23NO5S
Molecular Weight413.50 g/mol
Exact Mass413.13
IUPAC Name2,6-dimethoxy-N-[[4-(4-methoxyphenyl)phenyl]methyl]benzenesulfonamide
SMILESCOc1ccc(-c2ccc(CNS(=O)(=O)c3c(OC)cccc3OC)cc2)cc1
InChIInChI=1S/C22H23NO5S/c1-26-19-13-11-18(12-14-19)17-9-7-16(8-10-17)15-23-29(24,25)22-20(27-2)5-4-6-21(22)28-3/h4-14,23H,15H2,1-3H3
InChIKeySTTVPBQVBOORON-UHFFFAOYSA-N
XLogP3.86
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-dichloro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 26948085
N-[(4-methoxyphenyl)methyl]-2,4,6-trimethylbenzenesulfonamide
CID 668979
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,6-dimethoxybenzenesulfonamide
CID 120724219
N-benzyl-4-methoxybenzenesulfonamide
CID 741351
N-[[4-(2-methoxyphenyl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 53322135
N-[(4-methoxyphenyl)methylsulfamoyl]-1-phenylmethanamine
CID 1475423
2,6-dimethoxy-N-[3-(methylamino)propyl]benzenesulfonamide
CID 120707297
4-fluoro-3-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 7574386
4-N-[(4-methoxyphenyl)methyl]benzene-1,4-disulfonamide
CID 26527057
4-methoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzenesulfonamide
CID 54774003
N-benzyl-2,4-dimethoxybenzenesulfonamide
CID 17375991
N-[(4-methoxyphenyl)methyl]-4-(methylamino)benzenesulfonamide
CID 43332057

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-[[4-(4-methoxyphenyl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 2,6-dimethoxy-N-[[4-(4-methoxyphenyl)phenyl]methyl]benzenesulfonamide (CID 166221599) is 2,6-dimethoxy-N-[[4-(4-methoxyphenyl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 2,6-dimethoxy-N-[[4-(4-methoxyphenyl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 2,6-dimethoxy-N-[[4-(4-methoxyphenyl)phenyl]methyl]benzenesulfonamide is COc1ccc(-c2ccc(CNS(=O)(=O)c3c(OC)cccc3OC)cc2)cc1.
What is the InChIKey of 2,6-dimethoxy-N-[[4-(4-methoxyphenyl)phenyl]methyl]benzenesulfonamide?
The InChIKey is STTVPBQVBOORON-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO5S/c1-26-19-13-11-18(12-14-19)17-9-7-16(8-10-17)15-23-29(24,25)22-20(27-2)5-4-6-21(22)28-3/h4-14,23H,15H2,1-3H3.
What are the key properties of 2,6-dimethoxy-N-[[4-(4-methoxyphenyl)phenyl]methyl]benzenesulfonamide?
2,6-dimethoxy-N-[[4-(4-methoxyphenyl)phenyl]methyl]benzenesulfonamide has a molecular weight of 413.50 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-[[4-(4-methoxyphenyl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 166221599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).