N-(2,4-dimethoxyphenyl)-2-methylpropane-1-sulfonamide

C12H19NO4S — CID 743731

IUPACN-(2,4-dimethoxyphenyl)-2-methylpropane-1-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)CC(C)C)c(OC)c1
InChIInChI=1S/C12H19NO4S/c1-9(2)8-18(14,15)13-11-6-5-10(16-3)7-12(11)17-4/h5-7,9,13H,8H2,1-4H3
InChIKeyLNMKTEZBSKGOQI-UHFFFAOYSA-N
MW273.35 g/mol
LogP2.10
Rot. Bonds6

About N-(2,4-dimethoxyphenyl)-2-methylpropane-1-sulfonamide

N-(2,4-dimethoxyphenyl)-2-methylpropane-1-sulfonamide (PubChem CID 743731) has the molecular formula C12H19NO4S and a molecular weight of 273.35 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-methylpropane-1-sulfonamide
PubChem CID743731
Molecular FormulaC12H19NO4S
Molecular Weight273.35 g/mol
Exact Mass273.10
IUPAC NameN-(2,4-dimethoxyphenyl)-2-methylpropane-1-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)CC(C)C)c(OC)c1
InChIInChI=1S/C12H19NO4S/c1-9(2)8-18(14,15)13-11-6-5-10(16-3)7-12(11)17-4/h5-7,9,13H,8H2,1-4H3
InChIKeyLNMKTEZBSKGOQI-UHFFFAOYSA-N
XLogP2.10
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,4-dimethoxyphenyl)-2-methylpropane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-methylpropane-1-sulfonamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-methylpropane-1-sulfonamide (CID 743731) is N-(2,4-dimethoxyphenyl)-2-methylpropane-1-sulfonamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-methylpropane-1-sulfonamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-methylpropane-1-sulfonamide is COc1ccc(NS(=O)(=O)CC(C)C)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-methylpropane-1-sulfonamide?
The InChIKey is LNMKTEZBSKGOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4S/c1-9(2)8-18(14,15)13-11-6-5-10(16-3)7-12(11)17-4/h5-7,9,13H,8H2,1-4H3.
What are the key properties of N-(2,4-dimethoxyphenyl)-2-methylpropane-1-sulfonamide?
N-(2,4-dimethoxyphenyl)-2-methylpropane-1-sulfonamide has a molecular weight of 273.35 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 743731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).