N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethoxybenzenesulfonamide

C17H21NO6S — CID 3750289

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

About N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethoxybenzenesulfonamide

N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethoxybenzenesulfonamide (PubChem CID 3750289) has the molecular formula C17H21NO6S and a molecular weight of 367.42 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethoxybenzenesulfonamide
PubChem CID3750289
Molecular FormulaC17H21NO6S
Molecular Weight367.42 g/mol
Exact Mass367.11
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2cc(OC)ccc2OC)c(OC)c1
InChIInChI=1S/C17H21NO6S/c1-21-13-6-5-12(16(9-13)24-4)11-18-25(19,20)17-10-14(22-2)7-8-15(17)23-3/h5-10,18H,11H2,1-4H3
InChIKeyKRQFHVODDIVWQR-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-[(2,5-dimethoxyphenyl)methyl]-2,5-dimethoxybenzenesulfonamide
CID 3678279
N-[(2,4-dimethoxyphenyl)methyl]-2-methylbenzenesulfonamide
CID 110780745
N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylbenzenesulfonamide
CID 94639909
2,5-dichloro-N-[(2,4-dimethoxyphenyl)methyl]thiophene-3-sulfonamide
CID 5157003
N-[(2,4-dimethoxyphenyl)methyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 4657729
2,4-dimethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 6468216
2,5-dimethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 786081
N-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methyl]-2,5-dimethoxybenzenesulfonamide
CID 25044228
N-[(2,4-dimethoxyphenyl)methyl]-4-fluoro-3-methylbenzenesulfonamide
CID 110780736
N-(2,3-dihydro-1H-inden-5-ylmethyl)-2,5-dimethoxybenzenesulfonamide
CID 110780390
4-amino-N-[(2,4-dimethoxyphenyl)methyl]thiophene-2-sulfonamide
CID 63362655
2,5-dimethoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 27665440

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethoxybenzenesulfonamide (CID 3750289) is N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethoxybenzenesulfonamide is COc1ccc(CNS(=O)(=O)c2cc(OC)ccc2OC)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethoxybenzenesulfonamide?
The InChIKey is KRQFHVODDIVWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO6S/c1-21-13-6-5-12(16(9-13)24-4)11-18-25(19,20)17-10-14(22-2)7-8-15(17)23-3/h5-10,18H,11H2,1-4H3.
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethoxybenzenesulfonamide?
N-[(2,4-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-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 3750289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).