5-amino-N-ethyl-2,4-dimethoxy-N-(2-methylpropyl)benzenesulfonamide

C14H24N2O4S — CID 102945892

IUPAC5-amino-N-ethyl-2,4-dimethoxy-N-(2-methylpropyl)benzenesulfonamide
SMILESCCN(CC(C)C)S(=O)(=O)c1cc(N)c(OC)cc1OC
InChIInChI=1S/C14H24N2O4S/c1-6-16(9-10(2)3)21(17,18)14-7-11(15)12(19-4)8-13(14)20-5/h7-8,10H,6,9,15H2,1-5H3
InChIKeyNGSIORRKVMXHIA-UHFFFAOYSA-N
MW316.42 g/mol
LogP1.95
Rot. Bonds7

About 5-amino-N-ethyl-2,4-dimethoxy-N-(2-methylpropyl)benzenesulfonamide

5-amino-N-ethyl-2,4-dimethoxy-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 102945892) has the molecular formula C14H24N2O4S and a molecular weight of 316.42 g/mol. Its IUPAC name is 5-amino-N-ethyl-2,4-dimethoxy-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-ethyl-2,4-dimethoxy-N-(2-methylpropyl)benzenesulfonamide
PubChem CID102945892
Molecular FormulaC14H24N2O4S
Molecular Weight316.42 g/mol
Exact Mass316.15
IUPAC Name5-amino-N-ethyl-2,4-dimethoxy-N-(2-methylpropyl)benzenesulfonamide
SMILESCCN(CC(C)C)S(=O)(=O)c1cc(N)c(OC)cc1OC
InChIInChI=1S/C14H24N2O4S/c1-6-16(9-10(2)3)21(17,18)14-7-11(15)12(19-4)8-13(14)20-5/h7-8,10H,6,9,15H2,1-5H3
InChIKeyNGSIORRKVMXHIA-UHFFFAOYSA-N
XLogP1.95
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-amino-N-ethyl-2,4-dimethoxy-N-(2-methylpropyl)benzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

Benzenesulfonamide, 3-amino-N,N-diethyl-4-methoxy-
CID 66804
5-(Azepane-1-sulfonyl)-2-methoxyaniline
CID 3273476
N-[2,4-dimethoxy-5-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 57391458
N-[2,4-dimethoxy-5-[phenyl(propan-2-yl)sulfamoyl]phenyl]acetamide
CID 57400138
N-(2,4-dimethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 3197623
N-[2,4-dimethoxy-5-(2-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 3197624
N-[2,4-dimethoxy-5-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 7145814
N-[2,4-dimethoxy-5-(2-methylpyrrolidin-1-yl)sulfonylphenyl]acetamide
CID 57396700
N-[2,4-dimethoxy-5-(phenylsulfamoyl)phenyl]acetamide
CID 57398472
N-[5-(dimethylsulfamoyl)-2,4-dimethoxyphenyl]acetamide
CID 57401932
N-[2,4-dimethoxy-5-[(2R)-2-methylpyrrolidin-1-yl]sulfonylphenyl]acetamide
CID 118732955
N-(2,4-dimethoxyphenyl)-4-methoxybenzenesulfonamide
CID 743369

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-ethyl-2,4-dimethoxy-N-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of 5-amino-N-ethyl-2,4-dimethoxy-N-(2-methylpropyl)benzenesulfonamide (CID 102945892) is 5-amino-N-ethyl-2,4-dimethoxy-N-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-N-ethyl-2,4-dimethoxy-N-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 5-amino-N-ethyl-2,4-dimethoxy-N-(2-methylpropyl)benzenesulfonamide is CCN(CC(C)C)S(=O)(=O)c1cc(N)c(OC)cc1OC.
What is the InChIKey of 5-amino-N-ethyl-2,4-dimethoxy-N-(2-methylpropyl)benzenesulfonamide?
The InChIKey is NGSIORRKVMXHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4S/c1-6-16(9-10(2)3)21(17,18)14-7-11(15)12(19-4)8-13(14)20-5/h7-8,10H,6,9,15H2,1-5H3.
What are the key properties of 5-amino-N-ethyl-2,4-dimethoxy-N-(2-methylpropyl)benzenesulfonamide?
5-amino-N-ethyl-2,4-dimethoxy-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 316.42 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-ethyl-2,4-dimethoxy-N-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 102945892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).