3-amino-2-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide

C14H16N2O2S2 — CID 61104840

IUPAC3-amino-2-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide
SMILESCSc1ccccc1NS(=O)(=O)c1cccc(N)c1C
InChIInChI=1S/C14H16N2O2S2/c1-10-11(15)6-5-9-14(10)20(17,18)16-12-7-3-4-8-13(12)19-2/h3-9,16H,15H2,1-2H3
InChIKeyQYOBIKFXTANCFF-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.10
Rot. Bonds4

About 3-amino-2-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide

3-amino-2-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide (PubChem CID 61104840) has the molecular formula C14H16N2O2S2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 3-amino-2-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide
PubChem CID61104840
Molecular FormulaC14H16N2O2S2
Molecular Weight308.43 g/mol
Exact Mass308.07
IUPAC Name3-amino-2-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide
SMILESCSc1ccccc1NS(=O)(=O)c1cccc(N)c1C
InChIInChI=1S/C14H16N2O2S2/c1-10-11(15)6-5-9-14(10)20(17,18)16-12-7-3-4-8-13(12)19-2/h3-9,16H,15H2,1-2H3
InChIKeyQYOBIKFXTANCFF-UHFFFAOYSA-N
XLogP3.10
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(2-ethoxyphenyl)-2-methylbenzenesulfonamide
CID 30058477
2,3,4,5,6-pentamethyl-N-(2-methylsulfanylphenyl)benzenesulfonamide
CID 3496622
3-amino-2-methyl-N-(3-methylsulfanylphenyl)benzenesulfonamide
CID 28550882
3-amino-N-(2-chloro-3-pyridinyl)-2-methylbenzenesulfonamide
CID 61108865
3-amino-4-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide
CID 61107273
2-amino-N-(2-methylsulfonylphenyl)benzenesulfonamide
CID 61108416
3-amino-2-methyl-N-pentan-3-ylbenzenesulfonamide
CID 29302571
N-(3-amino-2-methylphenyl)-2-nitrobenzenesulfonamide
CID 43605074
N-(3-amino-2-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 43167106
3-amino-N-(4-bromo-2,3-dichlorophenyl)-2-methylbenzenesulfonamide
CID 107786884
3-amino-N-(3-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide
CID 79048625
2-bromo-4-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide
CID 35507846

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide?
The IUPAC name of 3-amino-2-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide (CID 61104840) is 3-amino-2-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-2-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide?
The canonical SMILES for 3-amino-2-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide is CSc1ccccc1NS(=O)(=O)c1cccc(N)c1C.
What is the InChIKey of 3-amino-2-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide?
The InChIKey is QYOBIKFXTANCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S2/c1-10-11(15)6-5-9-14(10)20(17,18)16-12-7-3-4-8-13(12)19-2/h3-9,16H,15H2,1-2H3.
What are the key properties of 3-amino-2-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide?
3-amino-2-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide has a molecular weight of 308.43 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide is sourced from PubChem (CID 61104840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).