N-[(2,5-dimethoxyphenyl)methyl]-2,5-dimethoxybenzenesulfonamide

C17H21NO6S — CID 3678279

IUPACN-[(2,5-dimethoxyphenyl)methyl]-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(CNS(=O)(=O)c2cc(OC)ccc2OC)c1
InChIInChI=1S/C17H21NO6S/c1-21-13-5-7-15(23-3)12(9-13)11-18-25(19,20)17-10-14(22-2)6-8-16(17)24-4/h5-10,18H,11H2,1-4H3
InChIKeyXFLAJNPLIGNUMD-UHFFFAOYSA-N
MW367.42 g/mol
LogP2.20
Rot. Bonds8

About N-[(2,5-dimethoxyphenyl)methyl]-2,5-dimethoxybenzenesulfonamide

N-[(2,5-dimethoxyphenyl)methyl]-2,5-dimethoxybenzenesulfonamide (PubChem CID 3678279) has the molecular formula C17H21NO6S and a molecular weight of 367.42 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methyl]-2,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methyl]-2,5-dimethoxybenzenesulfonamide
PubChem CID3678279
Molecular FormulaC17H21NO6S
Molecular Weight367.42 g/mol
Exact Mass367.11
IUPAC NameN-[(2,5-dimethoxyphenyl)methyl]-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(CNS(=O)(=O)c2cc(OC)ccc2OC)c1
InChIInChI=1S/C17H21NO6S/c1-21-13-5-7-15(23-3)12(9-13)11-18-25(19,20)17-10-14(22-2)6-8-16(17)24-4/h5-10,18H,11H2,1-4H3
InChIKeyXFLAJNPLIGNUMD-UHFFFAOYSA-N
XLogP2.20
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethoxybenzenesulfonamide
CID 3750289
3-bromo-N-[(2,5-dimethoxyphenyl)methyl]-4-methoxybenzenesulfonamide
CID 31827596
2,5-dimethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 786081
N-(2,3-dihydro-1H-inden-5-ylmethyl)-2,5-dimethoxybenzenesulfonamide
CID 110780390
3-[(2,5-dimethoxyphenyl)methylsulfamoyl]-4-fluorobenzoic acid
CID 9160130
2,4-dimethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 6468216
N-[(2,5-dimethoxyphenyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 31827643
N-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methyl]-2,5-dimethoxybenzenesulfonamide
CID 25044228
4-butoxy-N-[(2,5-dimethoxyphenyl)methyl]benzenesulfonamide
CID 3684547
2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 27664736
2,5-dimethoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 27665440
N-heptyl-2,5-dimethoxybenzenesulfonamide
CID 19681274

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-2,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-2,5-dimethoxybenzenesulfonamide (CID 3678279) is N-[(2,5-dimethoxyphenyl)methyl]-2,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methyl]-2,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methyl]-2,5-dimethoxybenzenesulfonamide is COc1ccc(OC)c(CNS(=O)(=O)c2cc(OC)ccc2OC)c1.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methyl]-2,5-dimethoxybenzenesulfonamide?
The InChIKey is XFLAJNPLIGNUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO6S/c1-21-13-5-7-15(23-3)12(9-13)11-18-25(19,20)17-10-14(22-2)6-8-16(17)24-4/h5-10,18H,11H2,1-4H3.
What are the key properties of N-[(2,5-dimethoxyphenyl)methyl]-2,5-dimethoxybenzenesulfonamide?
N-[(2,5-dimethoxyphenyl)methyl]-2,5-dimethoxybenzenesulfonamide has a molecular weight of 367.42 g/mol, XLogP of 2.20, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)methyl]-2,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 3678279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).