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

C14H16N2O2S2 — CID 28550882

IUPAC3-amino-2-methyl-N-(3-methylsulfanylphenyl)benzenesulfonamide
SMILESCSc1cccc(NS(=O)(=O)c2cccc(N)c2C)c1
InChIInChI=1S/C14H16N2O2S2/c1-10-13(15)7-4-8-14(10)20(17,18)16-11-5-3-6-12(9-11)19-2/h3-9,16H,15H2,1-2H3
InChIKeyBLSRAQKCWIABPU-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.10
Rot. Bonds4

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

3-amino-2-methyl-N-(3-methylsulfanylphenyl)benzenesulfonamide (PubChem CID 28550882) has the molecular formula C14H16N2O2S2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 3-amino-2-methyl-N-(3-methylsulfanylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-(3-methylsulfanylphenyl)benzenesulfonamide
PubChem CID28550882
Molecular FormulaC14H16N2O2S2
Molecular Weight308.43 g/mol
Exact Mass308.07
IUPAC Name3-amino-2-methyl-N-(3-methylsulfanylphenyl)benzenesulfonamide
SMILESCSc1cccc(NS(=O)(=O)c2cccc(N)c2C)c1
InChIInChI=1S/C14H16N2O2S2/c1-10-13(15)7-4-8-14(10)20(17,18)16-11-5-3-6-12(9-11)19-2/h3-9,16H,15H2,1-2H3
InChIKeyBLSRAQKCWIABPU-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

2,4-dimethyl-N-(3-methylsulfanylphenyl)benzenesulfonamide
CID 2089878
3-amino-N-(3-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide
CID 79048625
3-amino-2-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide
CID 61104840
3-amino-5-fluoro-N-(3-methylsulfanylphenyl)benzenesulfonamide
CID 63322037
4-methyl-3-[(3-methylsulfanylphenyl)sulfamoyl]benzoic acid
CID 25335355
3-amino-N-(3-chloro-4-cyanophenyl)-2-methylbenzenesulfonamide
CID 43347895
3-amino-N-(3-methylsulfanylphenyl)-1-propylpyrazole-4-sulfonamide
CID 60809409
1-N-(3-methylsulfanylphenyl)-3-methylsulfonylbenzene-1,2-diamine
CID 82003729
N-(3-aminophenyl)-3-chloro-2-methylbenzenesulfonamide
CID 43602696
4-ethyl-N-(3-methylsulfanylphenyl)benzenesulfonamide
CID 7594474
4-methoxy-N-(3-methylsulfanylphenyl)benzenesulfonamide
CID 836468
2-methyl-5-[(3-methylsulfanylphenyl)sulfamoyl]benzamide
CID 2991974

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-(3-methylsulfanylphenyl)benzenesulfonamide?
The IUPAC name of 3-amino-2-methyl-N-(3-methylsulfanylphenyl)benzenesulfonamide (CID 28550882) is 3-amino-2-methyl-N-(3-methylsulfanylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-2-methyl-N-(3-methylsulfanylphenyl)benzenesulfonamide?
The canonical SMILES for 3-amino-2-methyl-N-(3-methylsulfanylphenyl)benzenesulfonamide is CSc1cccc(NS(=O)(=O)c2cccc(N)c2C)c1.
What is the InChIKey of 3-amino-2-methyl-N-(3-methylsulfanylphenyl)benzenesulfonamide?
The InChIKey is BLSRAQKCWIABPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S2/c1-10-13(15)7-4-8-14(10)20(17,18)16-11-5-3-6-12(9-11)19-2/h3-9,16H,15H2,1-2H3.
What are the key properties of 3-amino-2-methyl-N-(3-methylsulfanylphenyl)benzenesulfonamide?
3-amino-2-methyl-N-(3-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-(3-methylsulfanylphenyl)benzenesulfonamide is sourced from PubChem (CID 28550882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).