N-(5-amino-2-methoxyphenyl)-3,4-dimethylbenzenesulfonamide

C15H18N2O3S — CID 28941375

IUPACN-(5-amino-2-methoxyphenyl)-3,4-dimethylbenzenesulfonamide
SMILESCOc1ccc(N)cc1NS(=O)(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C15H18N2O3S/c1-10-4-6-13(8-11(10)2)21(18,19)17-14-9-12(16)5-7-15(14)20-3/h4-9,17H,16H2,1-3H3
InChIKeyGGMXUVPNCZYPRZ-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.70
Rot. Bonds4

About N-(5-amino-2-methoxyphenyl)-3,4-dimethylbenzenesulfonamide

N-(5-amino-2-methoxyphenyl)-3,4-dimethylbenzenesulfonamide (PubChem CID 28941375) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-(5-amino-2-methoxyphenyl)-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-amino-2-methoxyphenyl)-3,4-dimethylbenzenesulfonamide
PubChem CID28941375
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC NameN-(5-amino-2-methoxyphenyl)-3,4-dimethylbenzenesulfonamide
SMILESCOc1ccc(N)cc1NS(=O)(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C15H18N2O3S/c1-10-4-6-13(8-11(10)2)21(18,19)17-14-9-12(16)5-7-15(14)20-3/h4-9,17H,16H2,1-3H3
InChIKeyGGMXUVPNCZYPRZ-UHFFFAOYSA-N
XLogP2.70
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(5-amino-2-methoxyphenyl)-3,4-dimethylbenzenesulfonamide 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

N-(4-amino-2-methoxyphenyl)-3,4-dimethylbenzenesulfonamide
CID 28941385
N-(5-amino-2-methoxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 28941062
N-(2-methoxy-5-pyrrolidin-1-ylphenyl)-3,4-dimethylbenzenesulfonamide
CID 110362056
N-(5-chloro-2-methoxyphenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 7354133
N-(5-amino-2-methoxyphenyl)-2,5-difluorobenzenesulfonamide
CID 43344398
N-(4-methoxy-2-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 22202548
N-(3-amino-4-methylphenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 39439923
3-amino-4-methoxy-N-(2-methylphenyl)benzenesulfonamide
CID 28544416
N-(5-amino-2-methoxyphenyl)-2,6-dichlorobenzenesulfonamide
CID 43603701
N-(5-amino-2-methylphenyl)-3,4-difluorobenzenesulfonamide
CID 43167025
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-3,4-dimethylbenzenesulfonamide
CID 7483084
N-(5-amino-2-methoxyphenyl)-5-ethylthiophene-2-sulfonamide
CID 61454236

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methoxyphenyl)-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(5-amino-2-methoxyphenyl)-3,4-dimethylbenzenesulfonamide (CID 28941375) is N-(5-amino-2-methoxyphenyl)-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(5-amino-2-methoxyphenyl)-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(5-amino-2-methoxyphenyl)-3,4-dimethylbenzenesulfonamide is COc1ccc(N)cc1NS(=O)(=O)c1ccc(C)c(C)c1.
What is the InChIKey of N-(5-amino-2-methoxyphenyl)-3,4-dimethylbenzenesulfonamide?
The InChIKey is GGMXUVPNCZYPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-10-4-6-13(8-11(10)2)21(18,19)17-14-9-12(16)5-7-15(14)20-3/h4-9,17H,16H2,1-3H3.
What are the key properties of N-(5-amino-2-methoxyphenyl)-3,4-dimethylbenzenesulfonamide?
N-(5-amino-2-methoxyphenyl)-3,4-dimethylbenzenesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methoxyphenyl)-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 28941375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).