5-amino-N-methyl-2-(2-methylsulfanylphenoxy)benzenesulfonamide

C14H16N2O3S2 — CID 103287820

IUPAC5-amino-N-methyl-2-(2-methylsulfanylphenoxy)benzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N)ccc1Oc1ccccc1SC
InChIInChI=1S/C14H16N2O3S2/c1-16-21(17,18)14-9-10(15)7-8-12(14)19-11-5-3-4-6-13(11)20-2/h3-9,16H,15H2,1-2H3
InChIKeyPPQXBNQPHCBUOA-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.69
Rot. Bonds5

About 5-amino-N-methyl-2-(2-methylsulfanylphenoxy)benzenesulfonamide

5-amino-N-methyl-2-(2-methylsulfanylphenoxy)benzenesulfonamide (PubChem CID 103287820) has the molecular formula C14H16N2O3S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 5-amino-N-methyl-2-(2-methylsulfanylphenoxy)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-methyl-2-(2-methylsulfanylphenoxy)benzenesulfonamide
PubChem CID103287820
Molecular FormulaC14H16N2O3S2
Molecular Weight324.43 g/mol
Exact Mass324.06
IUPAC Name5-amino-N-methyl-2-(2-methylsulfanylphenoxy)benzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N)ccc1Oc1ccccc1SC
InChIInChI=1S/C14H16N2O3S2/c1-16-21(17,18)14-9-10(15)7-8-12(14)19-11-5-3-4-6-13(11)20-2/h3-9,16H,15H2,1-2H3
InChIKeyPPQXBNQPHCBUOA-UHFFFAOYSA-N
XLogP2.69
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.69
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

5-amino-N-methyl-2-(3-methylbutan-2-yloxy)benzenesulfonamide
CID 103287848
3-(difluoromethyl)-4-(2-methylsulfanylphenoxy)aniline
CID 63735003
5-amino-2-(4-chloro-3-methylphenoxy)-N-methylbenzenesulfonamide
CID 103287763
5-amino-2-butan-2-yloxy-N-methylbenzenesulfonamide
CID 103287793
5-amino-N-methyl-2-(2-methylphenyl)sulfanylbenzenesulfonamide
CID 103287918
5-amino-2-(2-methylsulfanylanilino)benzenesulfonamide
CID 107643436
5-amino-2-(2-methoxyethoxy)-N-methylbenzenesulfonamide
CID 103287723
5-amino-2-[(5-chloro-3-pyridinyl)oxy]-N-methylbenzenesulfonamide
CID 103287831
5-amino-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)oxybenzenesulfonamide
CID 103287840
5-amino-N-methyl-2-(thiophen-2-ylmethoxy)benzenesulfonamide
CID 103287806
5-amino-N-methyl-2-(2-methylanilino)benzenesulfonamide
CID 103286687
5-amino-2-bromo-N-methylbenzenesulfonamide
CID 65201802

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-methyl-2-(2-methylsulfanylphenoxy)benzenesulfonamide?
The IUPAC name of 5-amino-N-methyl-2-(2-methylsulfanylphenoxy)benzenesulfonamide (CID 103287820) is 5-amino-N-methyl-2-(2-methylsulfanylphenoxy)benzenesulfonamide.
What is the SMILES notation for 5-amino-N-methyl-2-(2-methylsulfanylphenoxy)benzenesulfonamide?
The canonical SMILES for 5-amino-N-methyl-2-(2-methylsulfanylphenoxy)benzenesulfonamide is CNS(=O)(=O)c1cc(N)ccc1Oc1ccccc1SC.
What is the InChIKey of 5-amino-N-methyl-2-(2-methylsulfanylphenoxy)benzenesulfonamide?
The InChIKey is PPQXBNQPHCBUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S2/c1-16-21(17,18)14-9-10(15)7-8-12(14)19-11-5-3-4-6-13(11)20-2/h3-9,16H,15H2,1-2H3.
What are the key properties of 5-amino-N-methyl-2-(2-methylsulfanylphenoxy)benzenesulfonamide?
5-amino-N-methyl-2-(2-methylsulfanylphenoxy)benzenesulfonamide has a molecular weight of 324.43 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-methyl-2-(2-methylsulfanylphenoxy)benzenesulfonamide is sourced from PubChem (CID 103287820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).