3-amino-4-methyl-N-(3-methylphenyl)benzenesulfonamide

C14H16N2O2S — CID 3777319

IUPAC3-amino-4-methyl-N-(3-methylphenyl)benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(C)c(N)c2)c1
InChIInChI=1S/C14H16N2O2S/c1-10-4-3-5-12(8-10)16-19(17,18)13-7-6-11(2)14(15)9-13/h3-9,16H,15H2,1-2H3
InChIKeyGUTAXOCKIUEWFM-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.69
Rot. Bonds3

About 3-amino-4-methyl-N-(3-methylphenyl)benzenesulfonamide

3-amino-4-methyl-N-(3-methylphenyl)benzenesulfonamide (PubChem CID 3777319) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 3-amino-4-methyl-N-(3-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-methyl-N-(3-methylphenyl)benzenesulfonamide
PubChem CID3777319
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name3-amino-4-methyl-N-(3-methylphenyl)benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(C)c(N)c2)c1
InChIInChI=1S/C14H16N2O2S/c1-10-4-3-5-12(8-10)16-19(17,18)13-7-6-11(2)14(15)9-13/h3-9,16H,15H2,1-2H3
InChIKeyGUTAXOCKIUEWFM-UHFFFAOYSA-N
XLogP2.69
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methyl-N-(3-methylphenyl)benzenesulfonamide?
The IUPAC name of 3-amino-4-methyl-N-(3-methylphenyl)benzenesulfonamide (CID 3777319) is 3-amino-4-methyl-N-(3-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-methyl-N-(3-methylphenyl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-methyl-N-(3-methylphenyl)benzenesulfonamide is Cc1cccc(NS(=O)(=O)c2ccc(C)c(N)c2)c1.
What is the InChIKey of 3-amino-4-methyl-N-(3-methylphenyl)benzenesulfonamide?
The InChIKey is GUTAXOCKIUEWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-10-4-3-5-12(8-10)16-19(17,18)13-7-6-11(2)14(15)9-13/h3-9,16H,15H2,1-2H3.
What are the key properties of 3-amino-4-methyl-N-(3-methylphenyl)benzenesulfonamide?
3-amino-4-methyl-N-(3-methylphenyl)benzenesulfonamide has a molecular weight of 276.36 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methyl-N-(3-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 3777319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).