N-(2,4-dimethoxyphenyl)-2-methoxy-4,5-dimethylbenzenesulfonamide

C17H21NO5S — CID 113098643

IUPACN-(2,4-dimethoxyphenyl)-2-methoxy-4,5-dimethylbenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(C)c(C)cc2OC)c(OC)c1
InChIInChI=1S/C17H21NO5S/c1-11-8-16(23-5)17(9-12(11)2)24(19,20)18-14-7-6-13(21-3)10-15(14)22-4/h6-10,18H,1-5H3
InChIKeyKLUSBGJOPSKHJG-UHFFFAOYSA-N
MW351.42 g/mol
LogP3.13
Rot. Bonds6

About N-(2,4-dimethoxyphenyl)-2-methoxy-4,5-dimethylbenzenesulfonamide

N-(2,4-dimethoxyphenyl)-2-methoxy-4,5-dimethylbenzenesulfonamide (PubChem CID 113098643) has the molecular formula C17H21NO5S and a molecular weight of 351.42 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-methoxy-4,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-methoxy-4,5-dimethylbenzenesulfonamide
PubChem CID113098643
Molecular FormulaC17H21NO5S
Molecular Weight351.42 g/mol
Exact Mass351.11
IUPAC NameN-(2,4-dimethoxyphenyl)-2-methoxy-4,5-dimethylbenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(C)c(C)cc2OC)c(OC)c1
InChIInChI=1S/C17H21NO5S/c1-11-8-16(23-5)17(9-12(11)2)24(19,20)18-14-7-6-13(21-3)10-15(14)22-4/h6-10,18H,1-5H3
InChIKeyKLUSBGJOPSKHJG-UHFFFAOYSA-N
XLogP3.13
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(2,4-dimethoxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 3783398
N-(5-chloro-2-methylphenyl)-2,4-dimethoxybenzenesulfonamide
CID 22775089
N-(3,4-dimethylphenyl)-2,4-dimethoxybenzenesulfonamide
CID 19683549
2-amino-N-(2,4-dimethoxyphenyl)benzenesulfonamide
CID 28590092
N-(2-bromo-4-methylphenyl)-2,4-dimethoxybenzenesulfonamide
CID 22773975
3-[(2,4-dimethoxyphenyl)sulfamoyl]-4,5-dimethylbenzoate
CID 9236181
N-[2-(methanesulfonamido)phenyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 113093442
5-chloro-N-(2,4-dimethoxyphenyl)-2-fluorobenzenesulfonamide
CID 110759387
N-(2,4-dimethoxyphenyl)-2,3,4-trifluorobenzenesulfonamide
CID 2621668
4-bromo-2-chloro-N-(2,4-dimethoxyphenyl)benzenesulfonamide
CID 7514398
3-[(2,4-dimethoxyphenyl)sulfonylamino]-4-methylbenzoic acid
CID 45330107
N-(2,4-dimethoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide
CID 26979627

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-methoxy-4,5-dimethylbenzenesulfonamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-methoxy-4,5-dimethylbenzenesulfonamide (CID 113098643) is N-(2,4-dimethoxyphenyl)-2-methoxy-4,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-methoxy-4,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-methoxy-4,5-dimethylbenzenesulfonamide is COc1ccc(NS(=O)(=O)c2cc(C)c(C)cc2OC)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-methoxy-4,5-dimethylbenzenesulfonamide?
The InChIKey is KLUSBGJOPSKHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO5S/c1-11-8-16(23-5)17(9-12(11)2)24(19,20)18-14-7-6-13(21-3)10-15(14)22-4/h6-10,18H,1-5H3.
What are the key properties of N-(2,4-dimethoxyphenyl)-2-methoxy-4,5-dimethylbenzenesulfonamide?
N-(2,4-dimethoxyphenyl)-2-methoxy-4,5-dimethylbenzenesulfonamide has a molecular weight of 351.42 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-methoxy-4,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 113098643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).