2-amino-3-methylsulfanylbenzenesulfonamide

C7H10N2O2S2 — CID 112675184

IUPAC2-amino-3-methylsulfanylbenzenesulfonamide
SMILESCSc1cccc(S(N)(=O)=O)c1N
InChIInChI=1S/C7H10N2O2S2/c1-12-5-3-2-4-6(7(5)8)13(9,10)11/h2-4H,8H2,1H3,(H2,9,10,11)
InChIKeyCBQRVQOPCAALQY-UHFFFAOYSA-N
MW218.30 g/mol
LogP0.64
Rot. Bonds2

About 2-amino-3-methylsulfanylbenzenesulfonamide

2-amino-3-methylsulfanylbenzenesulfonamide (PubChem CID 112675184) has the molecular formula C7H10N2O2S2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-amino-3-methylsulfanylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-3-methylsulfanylbenzenesulfonamide
PubChem CID112675184
Molecular FormulaC7H10N2O2S2
Molecular Weight218.30 g/mol
Exact Mass218.02
IUPAC Name2-amino-3-methylsulfanylbenzenesulfonamide
SMILESCSc1cccc(S(N)(=O)=O)c1N
InChIInChI=1S/C7H10N2O2S2/c1-12-5-3-2-4-6(7(5)8)13(9,10)11/h2-4H,8H2,1H3,(H2,9,10,11)
InChIKeyCBQRVQOPCAALQY-UHFFFAOYSA-N
XLogP0.64
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-3-methylsulfanylbenzenesulfonamide 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-3-ethylsulfanylbenzenesulfonamide
CID 112675163
2-amino-3-(3-methylbutylsulfanyl)benzenesulfonamide
CID 107748208
2-amino-3-cyclopentylsulfanylbenzenesulfonamide
CID 112675204
2-amino-3-propan-2-ylbenzenesulfonamide
CID 67063379
2-amino-3-methylsulfanylphenol
CID 23540046
2-amino-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]benzenesulfonamide
CID 112675187
2-amino-3-(3-methylsulfanylpropylamino)benzenesulfonamide
CID 112674921
2-amino-3-iodobenzenesulfonamide
CID 118996244
2-amino-3-(1H-1,2,4-triazol-5-ylsulfanyl)benzenesulfonamide
CID 112675151
2-amino-3-(2-methylsulfanylethylamino)benzenesulfonamide
CID 112674920
2-amino-3-(2-sulfamoylphenyl)benzenesulfonamide
CID 142784698
2-amino-3-(1H-indol-2-ylsulfanyl)benzenesulfonamide
CID 115993142

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methylsulfanylbenzenesulfonamide?
The IUPAC name of 2-amino-3-methylsulfanylbenzenesulfonamide (CID 112675184) is 2-amino-3-methylsulfanylbenzenesulfonamide.
What is the SMILES notation for 2-amino-3-methylsulfanylbenzenesulfonamide?
The canonical SMILES for 2-amino-3-methylsulfanylbenzenesulfonamide is CSc1cccc(S(N)(=O)=O)c1N.
What is the InChIKey of 2-amino-3-methylsulfanylbenzenesulfonamide?
The InChIKey is CBQRVQOPCAALQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S2/c1-12-5-3-2-4-6(7(5)8)13(9,10)11/h2-4H,8H2,1H3,(H2,9,10,11).
What are the key properties of 2-amino-3-methylsulfanylbenzenesulfonamide?
2-amino-3-methylsulfanylbenzenesulfonamide has a molecular weight of 218.30 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methylsulfanylbenzenesulfonamide is sourced from PubChem (CID 112675184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).