2-amino-4-(4-chlorophenoxy)-N-methylbenzenesulfonamide

C13H13ClN2O3S — CID 80646384

IUPAC2-amino-4-(4-chlorophenoxy)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1N
InChIInChI=1S/C13H13ClN2O3S/c1-16-20(17,18)13-7-6-11(8-12(13)15)19-10-4-2-9(14)3-5-10/h2-8,16H,15H2,1H3
InChIKeyTWJDILDGBODQPZ-UHFFFAOYSA-N
MW312.78 g/mol
LogP2.62
Rot. Bonds4

About 2-amino-4-(4-chlorophenoxy)-N-methylbenzenesulfonamide

2-amino-4-(4-chlorophenoxy)-N-methylbenzenesulfonamide (PubChem CID 80646384) has the molecular formula C13H13ClN2O3S and a molecular weight of 312.78 g/mol. Its IUPAC name is 2-amino-4-(4-chlorophenoxy)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-(4-chlorophenoxy)-N-methylbenzenesulfonamide
PubChem CID80646384
Molecular FormulaC13H13ClN2O3S
Molecular Weight312.78 g/mol
Exact Mass312.03
IUPAC Name2-amino-4-(4-chlorophenoxy)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1N
InChIInChI=1S/C13H13ClN2O3S/c1-16-20(17,18)13-7-6-11(8-12(13)15)19-10-4-2-9(14)3-5-10/h2-8,16H,15H2,1H3
InChIKeyTWJDILDGBODQPZ-UHFFFAOYSA-N
XLogP2.62
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.78
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-4-(4-chlorophenoxy)-N-methylbenzenesulfonamide 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-amino-4-(3,5-dimethylphenoxy)-N-methylbenzenesulfonamide
CID 80641737
2-amino-N-methyl-4-(1-propan-2-ylpyrazol-4-yl)oxybenzenesulfonamide
CID 116800594
2-amino-N-methyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]benzenesulfonamide
CID 106596553
2-amino-N-methyl-4-(4-methylpentan-2-yloxy)benzenesulfonamide
CID 80646385
2-amino-4-(3-chlorophenoxy)benzenesulfonamide
CID 79467084
4-chloro-1-N,2-N-dimethylbenzene-1,2-disulfonamide
CID 124926790
5-(4-chlorophenoxy)-2-methylaniline
CID 91301479
2-amino-4-(2,5-dichloroanilino)-N-methylbenzenesulfonamide
CID 80640845
N-[2-amino-4-(4-chlorophenoxy)phenyl]acetamide
CID 70625641
2-amino-4-[2-[cyclopropyl(methyl)amino]ethoxy]-N-methylbenzenesulfonamide
CID 102739860
2-(aminomethyl)-4-chloro-N-methylbenzenesulfonamide;hydrochloride
CID 66877918
2-amino-4-chloro-N-(3-ethylpentan-3-yl)benzenesulfonamide
CID 65039815

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-chlorophenoxy)-N-methylbenzenesulfonamide?
The IUPAC name of 2-amino-4-(4-chlorophenoxy)-N-methylbenzenesulfonamide (CID 80646384) is 2-amino-4-(4-chlorophenoxy)-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-4-(4-chlorophenoxy)-N-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-4-(4-chlorophenoxy)-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1N.
What is the InChIKey of 2-amino-4-(4-chlorophenoxy)-N-methylbenzenesulfonamide?
The InChIKey is TWJDILDGBODQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3S/c1-16-20(17,18)13-7-6-11(8-12(13)15)19-10-4-2-9(14)3-5-10/h2-8,16H,15H2,1H3.
What are the key properties of 2-amino-4-(4-chlorophenoxy)-N-methylbenzenesulfonamide?
2-amino-4-(4-chlorophenoxy)-N-methylbenzenesulfonamide has a molecular weight of 312.78 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-chlorophenoxy)-N-methylbenzenesulfonamide is sourced from PubChem (CID 80646384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).