N-(4-aminophenyl)-2,4-dimethoxybenzenesulfonamide

C14H16N2O4S — CID 43602608

IUPACN-(4-aminophenyl)-2,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(N)cc2)c(OC)c1
InChIInChI=1S/C14H16N2O4S/c1-19-12-7-8-14(13(9-12)20-2)21(17,18)16-11-5-3-10(15)4-6-11/h3-9,16H,15H2,1-2H3
InChIKeyZYSGLYAKTICOMQ-UHFFFAOYSA-N
MW308.36 g/mol
LogP2.09
Rot. Bonds5

About N-(4-aminophenyl)-2,4-dimethoxybenzenesulfonamide

N-(4-aminophenyl)-2,4-dimethoxybenzenesulfonamide (PubChem CID 43602608) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is N-(4-aminophenyl)-2,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2,4-dimethoxybenzenesulfonamide
PubChem CID43602608
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC NameN-(4-aminophenyl)-2,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(N)cc2)c(OC)c1
InChIInChI=1S/C14H16N2O4S/c1-19-12-7-8-14(13(9-12)20-2)21(17,18)16-11-5-3-10(15)4-6-11/h3-9,16H,15H2,1-2H3
InChIKeyZYSGLYAKTICOMQ-UHFFFAOYSA-N
XLogP2.09
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(4-aminophenyl)-2,4-dimethoxybenzenesulfonamide 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

2,4-dimethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 22774026
N-(3,4-dimethylphenyl)-2,4-dimethoxybenzenesulfonamide
CID 19683549
2,4-dimethoxy-N-[4-(propylamino)phenyl]benzenesulfonamide
CID 112979777
N-[4-[(2,4-dimethoxyphenyl)sulfonylamino]phenyl]acetamide
CID 22774828
N-(3,4-difluorophenyl)-2,4-dimethoxybenzenesulfonamide
CID 22773465
N-(4-fluoro-3-methylphenyl)-2,4-dimethoxybenzenesulfonamide
CID 110776380
2,4-dimethoxy-N-(3-methylphenyl)benzenesulfonamide
CID 22773637
N-(6-bromo-3-pyridinyl)-2,4-dimethoxybenzenesulfonamide
CID 110605160
N-(1,3-benzodioxol-5-yl)-2,4-dimethoxybenzenesulfonamide
CID 22774071
5-amino-2-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 3521355
4-amino-N-(3,5-dichlorophenyl)-2-methoxybenzenesulfonamide
CID 43258342
N-(1H-indol-5-yl)-2,4-dimethoxybenzenesulfonamide
CID 110730767

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-(4-aminophenyl)-2,4-dimethoxybenzenesulfonamide (CID 43602608) is N-(4-aminophenyl)-2,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(4-aminophenyl)-2,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(4-aminophenyl)-2,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(N)cc2)c(OC)c1.
What is the InChIKey of N-(4-aminophenyl)-2,4-dimethoxybenzenesulfonamide?
The InChIKey is ZYSGLYAKTICOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c1-19-12-7-8-14(13(9-12)20-2)21(17,18)16-11-5-3-10(15)4-6-11/h3-9,16H,15H2,1-2H3.
What are the key properties of N-(4-aminophenyl)-2,4-dimethoxybenzenesulfonamide?
N-(4-aminophenyl)-2,4-dimethoxybenzenesulfonamide has a molecular weight of 308.36 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 43602608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).