2-amino-N-(2,4-dimethoxyphenyl)benzenesulfonamide

C14H16N2O4S — CID 28590092

IUPAC2-amino-N-(2,4-dimethoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccccc2N)c(OC)c1
InChIInChI=1S/C14H16N2O4S/c1-19-10-7-8-12(13(9-10)20-2)16-21(17,18)14-6-4-3-5-11(14)15/h3-9,16H,15H2,1-2H3
InChIKeyLRELUGKNXGPYTL-UHFFFAOYSA-N
MW308.36 g/mol
LogP2.09
Rot. Bonds5

About 2-amino-N-(2,4-dimethoxyphenyl)benzenesulfonamide

2-amino-N-(2,4-dimethoxyphenyl)benzenesulfonamide (PubChem CID 28590092) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is 2-amino-N-(2,4-dimethoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(2,4-dimethoxyphenyl)benzenesulfonamide
PubChem CID28590092
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Name2-amino-N-(2,4-dimethoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccccc2N)c(OC)c1
InChIInChI=1S/C14H16N2O4S/c1-19-10-7-8-12(13(9-10)20-2)16-21(17,18)14-6-4-3-5-11(14)15/h3-9,16H,15H2,1-2H3
InChIKeyLRELUGKNXGPYTL-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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminophenyl)-2,5-dimethoxybenzenesulfonamide
CID 43605524
N-(2,4-dimethoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide
CID 26979627
N-(2,4-dimethoxyphenyl)-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 113098643
2-amino-4-methoxy-N-(2-methylphenyl)benzenesulfonamide
CID 28522742
N-(2,4-dimethoxyphenyl)-4-phenoxybenzenesulfonamide
CID 46764272
N-[4-(2,4-dimethoxyanilino)phenyl]-2-methylbenzenesulfonamide
CID 112987972
2-amino-5-bromo-N-(2,4-dimethoxyphenyl)pyridine-3-sulfonamide
CID 22515844
N-(4-methoxy-2-methylphenyl)-2-methylbenzenesulfonamide
CID 62997670
5-chloro-N-(2,4-dimethoxyphenyl)-2-fluorobenzenesulfonamide
CID 110759387
N-(2,4-dimethoxyphenyl)-2,3,4-trifluorobenzenesulfonamide
CID 2621668
N-(4-amino-2-methoxyphenyl)-2-chlorobenzenesulfonamide
CID 43123342
N-[(2-aminophenyl)methyl]-2,4-dimethoxyaniline
CID 66385425

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,4-dimethoxyphenyl)benzenesulfonamide?
The IUPAC name of 2-amino-N-(2,4-dimethoxyphenyl)benzenesulfonamide (CID 28590092) is 2-amino-N-(2,4-dimethoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-N-(2,4-dimethoxyphenyl)benzenesulfonamide?
The canonical SMILES for 2-amino-N-(2,4-dimethoxyphenyl)benzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccccc2N)c(OC)c1.
What is the InChIKey of 2-amino-N-(2,4-dimethoxyphenyl)benzenesulfonamide?
The InChIKey is LRELUGKNXGPYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c1-19-10-7-8-12(13(9-10)20-2)16-21(17,18)14-6-4-3-5-11(14)15/h3-9,16H,15H2,1-2H3.
What are the key properties of 2-amino-N-(2,4-dimethoxyphenyl)benzenesulfonamide?
2-amino-N-(2,4-dimethoxyphenyl)benzenesulfonamide 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 2-amino-N-(2,4-dimethoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 28590092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).