3-amino-4-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide

C14H16N2O2S2 — CID 61107273

IUPAC3-amino-4-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide
SMILESCSc1ccccc1NS(=O)(=O)c1ccc(C)c(N)c1
InChIInChI=1S/C14H16N2O2S2/c1-10-7-8-11(9-12(10)15)20(17,18)16-13-5-3-4-6-14(13)19-2/h3-9,16H,15H2,1-2H3
InChIKeyLZSYJRCZRQWYLY-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.10
Rot. Bonds4

About 3-amino-4-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide

3-amino-4-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide (PubChem CID 61107273) has the molecular formula C14H16N2O2S2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 3-amino-4-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide
PubChem CID61107273
Molecular FormulaC14H16N2O2S2
Molecular Weight308.43 g/mol
Exact Mass308.07
IUPAC Name3-amino-4-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide
SMILESCSc1ccccc1NS(=O)(=O)c1ccc(C)c(N)c1
InChIInChI=1S/C14H16N2O2S2/c1-10-7-8-11(9-12(10)15)20(17,18)16-13-5-3-4-6-14(13)19-2/h3-9,16H,15H2,1-2H3
InChIKeyLZSYJRCZRQWYLY-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

4-cyano-3-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide
CID 106831770
3-amino-2-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide
CID 61104840
4-(2-methylpropyl)-N-(2-methylsulfanylphenyl)benzenesulfonamide
CID 17388107
3-methoxy-N-(2-methylsulfanylphenyl)benzenesulfonamide
CID 45369226
3-iodo-4-methoxy-N-(2-methylsulfanylphenyl)benzenesulfonamide
CID 2984378
2-chloro-5-[(2-methylsulfanylphenyl)sulfamoyl]benzoic acid
CID 25391393
3-amino-4-methoxy-N-(2-methylphenyl)benzenesulfonamide
CID 28544416
2,3,4,5,6-pentamethyl-N-(2-methylsulfanylphenyl)benzenesulfonamide
CID 3496622
N-(2-fluorophenyl)-3,4-dimethylbenzenesulfonamide
CID 17377370
3-amino-4-hydroxy-N-(2-propan-2-ylphenyl)benzenesulfonamide
CID 29035063
6-hydrazinyl-N-(2-methylsulfanylphenyl)pyridine-3-sulfonamide
CID 107642114
3,4-dimethyl-N-(2-prop-2-enylsulfanylphenyl)benzenesulfonamide
CID 8823884

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide?
The IUPAC name of 3-amino-4-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide (CID 61107273) is 3-amino-4-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide is CSc1ccccc1NS(=O)(=O)c1ccc(C)c(N)c1.
What is the InChIKey of 3-amino-4-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide?
The InChIKey is LZSYJRCZRQWYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S2/c1-10-7-8-11(9-12(10)15)20(17,18)16-13-5-3-4-6-14(13)19-2/h3-9,16H,15H2,1-2H3.
What are the key properties of 3-amino-4-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide?
3-amino-4-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-4-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide is sourced from PubChem (CID 61107273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).