5-amino-2-(2-methylsulfanylanilino)benzenesulfonamide

C13H15N3O2S2 — CID 107643436

IUPAC5-amino-2-(2-methylsulfanylanilino)benzenesulfonamide
SMILESCSc1ccccc1Nc1ccc(N)cc1S(N)(=O)=O
InChIInChI=1S/C13H15N3O2S2/c1-19-12-5-3-2-4-10(12)16-11-7-6-9(14)8-13(11)20(15,17)18/h2-8,16H,14H2,1H3,(H2,15,17,18)
InChIKeyKDBANCJYBXWXCN-UHFFFAOYSA-N
MW309.42 g/mol
LogP2.38
Rot. Bonds4

About 5-amino-2-(2-methylsulfanylanilino)benzenesulfonamide

5-amino-2-(2-methylsulfanylanilino)benzenesulfonamide (PubChem CID 107643436) has the molecular formula C13H15N3O2S2 and a molecular weight of 309.42 g/mol. Its IUPAC name is 5-amino-2-(2-methylsulfanylanilino)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-(2-methylsulfanylanilino)benzenesulfonamide
PubChem CID107643436
Molecular FormulaC13H15N3O2S2
Molecular Weight309.42 g/mol
Exact Mass309.06
IUPAC Name5-amino-2-(2-methylsulfanylanilino)benzenesulfonamide
SMILESCSc1ccccc1Nc1ccc(N)cc1S(N)(=O)=O
InChIInChI=1S/C13H15N3O2S2/c1-19-12-5-3-2-4-10(12)16-11-7-6-9(14)8-13(11)20(15,17)18/h2-8,16H,14H2,1H3,(H2,15,17,18)
InChIKeyKDBANCJYBXWXCN-UHFFFAOYSA-N
XLogP2.38
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-amino-2-(2-methylsulfanylanilino)benzenesulfonamide 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

5-amino-2-(2-cyano-3-methylanilino)benzenesulfonamide
CID 107802604
5-amino-2-(1-methylsulfanylpropan-2-ylamino)benzenesulfonamide
CID 113472684
2-(5-amino-2-chloroanilino)benzenesulfonamide
CID 54903074
5-amino-2-(2-methylanilino)benzenesulfonic acid
CID 53423153
5-amino-2-(2,2-dimethylhydrazinyl)benzenesulfonamide
CID 83013156
5-amino-N-methyl-2-(2-methylanilino)benzenesulfonamide
CID 103286687
4-fluoro-1-N-(2-methylsulfanylphenyl)benzene-1,2-diamine
CID 107643386
5-amino-N-methyl-2-(2-methylsulfanylphenoxy)benzenesulfonamide
CID 103287820
5-amino-2-(3-bromo-4-fluoroanilino)benzenesulfonamide
CID 104775562
5-amino-2-(2-chloro-4-cyanoanilino)benzenesulfonamide
CID 107807019
5-amino-2-[(1-methylsulfanylcyclopropyl)methylamino]benzenesulfonamide
CID 114115545
5-amino-2-(3-chloro-5-fluoroanilino)benzenesulfonamide
CID 107363655

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2-methylsulfanylanilino)benzenesulfonamide?
The IUPAC name of 5-amino-2-(2-methylsulfanylanilino)benzenesulfonamide (CID 107643436) is 5-amino-2-(2-methylsulfanylanilino)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-(2-methylsulfanylanilino)benzenesulfonamide?
The canonical SMILES for 5-amino-2-(2-methylsulfanylanilino)benzenesulfonamide is CSc1ccccc1Nc1ccc(N)cc1S(N)(=O)=O.
What is the InChIKey of 5-amino-2-(2-methylsulfanylanilino)benzenesulfonamide?
The InChIKey is KDBANCJYBXWXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S2/c1-19-12-5-3-2-4-10(12)16-11-7-6-9(14)8-13(11)20(15,17)18/h2-8,16H,14H2,1H3,(H2,15,17,18).
What are the key properties of 5-amino-2-(2-methylsulfanylanilino)benzenesulfonamide?
5-amino-2-(2-methylsulfanylanilino)benzenesulfonamide has a molecular weight of 309.42 g/mol, XLogP of 2.38, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2-methylsulfanylanilino)benzenesulfonamide is sourced from PubChem (CID 107643436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).