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

C15H18N2O3S — CID 28941062

IUPACN-(5-amino-2-methoxyphenyl)-2,5-dimethylbenzenesulfonamide
SMILESCOc1ccc(N)cc1NS(=O)(=O)c1cc(C)ccc1C
InChIInChI=1S/C15H18N2O3S/c1-10-4-5-11(2)15(8-10)21(18,19)17-13-9-12(16)6-7-14(13)20-3/h4-9,17H,16H2,1-3H3
InChIKeyMJNIYLIECRIQOV-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.70
Rot. Bonds4

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

N-(5-amino-2-methoxyphenyl)-2,5-dimethylbenzenesulfonamide (PubChem CID 28941062) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-(5-amino-2-methoxyphenyl)-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-amino-2-methoxyphenyl)-2,5-dimethylbenzenesulfonamide
PubChem CID28941062
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC NameN-(5-amino-2-methoxyphenyl)-2,5-dimethylbenzenesulfonamide
SMILESCOc1ccc(N)cc1NS(=O)(=O)c1cc(C)ccc1C
InChIInChI=1S/C15H18N2O3S/c1-10-4-5-11(2)15(8-10)21(18,19)17-13-9-12(16)6-7-14(13)20-3/h4-9,17H,16H2,1-3H3
InChIKeyMJNIYLIECRIQOV-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)-2,5-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-(5-amino-2-methoxyphenyl)-3,4-dimethylbenzenesulfonamide
CID 28941375
4-amino-N-(2-chloro-5-methylphenyl)-2-methoxybenzenesulfonamide
CID 107624522
N-(5-amino-2-methoxyphenyl)-2,5-difluorobenzenesulfonamide
CID 43344398
N-(4-amino-2-methoxyphenyl)-3,4-dimethylbenzenesulfonamide
CID 28941385
N-(5-amino-2-pyridinyl)-2,5-dimethylbenzenesulfonamide
CID 43144676
N-(5-amino-2-methoxyphenyl)-2,6-dichlorobenzenesulfonamide
CID 43603701
5-amino-N-(4-bromo-3-methoxyphenyl)-2-methylbenzenesulfonamide
CID 82859179
N-(2-fluoro-5-methylphenyl)-2-methoxy-5-methylbenzenesulfonamide
CID 8514842
N-(2-bromo-5-methylphenyl)-2,5-dimethylbenzenesulfonamide
CID 82757156
N-(5-amino-2-methoxyphenyl)-5-ethylthiophene-2-sulfonamide
CID 61454236
N-(4-amino-2-methylphenyl)-2,4-dimethylbenzenesulfonamide
CID 43120010
N-(3,5-dimethoxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 6467501

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methoxyphenyl)-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-(5-amino-2-methoxyphenyl)-2,5-dimethylbenzenesulfonamide (CID 28941062) is N-(5-amino-2-methoxyphenyl)-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(5-amino-2-methoxyphenyl)-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-(5-amino-2-methoxyphenyl)-2,5-dimethylbenzenesulfonamide is COc1ccc(N)cc1NS(=O)(=O)c1cc(C)ccc1C.
What is the InChIKey of N-(5-amino-2-methoxyphenyl)-2,5-dimethylbenzenesulfonamide?
The InChIKey is MJNIYLIECRIQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-10-4-5-11(2)15(8-10)21(18,19)17-13-9-12(16)6-7-14(13)20-3/h4-9,17H,16H2,1-3H3.
What are the key properties of N-(5-amino-2-methoxyphenyl)-2,5-dimethylbenzenesulfonamide?
N-(5-amino-2-methoxyphenyl)-2,5-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)-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 28941062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).