4-amino-N-(2-methylphenyl)benzenesulfonamide

C13H14N2O2S — CID 593569

IUPAC4-amino-N-(2-methylphenyl)benzenesulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C13H14N2O2S/c1-10-4-2-3-5-13(10)15-18(16,17)12-8-6-11(14)7-9-12/h2-9,15H,14H2,1H3
InChIKeyVNBAGPGLMFYJKB-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.38
Rot. Bonds3

About 4-amino-N-(2-methylphenyl)benzenesulfonamide

4-amino-N-(2-methylphenyl)benzenesulfonamide (PubChem CID 593569) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 4-amino-N-(2-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(2-methylphenyl)benzenesulfonamide
PubChem CID593569
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name4-amino-N-(2-methylphenyl)benzenesulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C13H14N2O2S/c1-10-4-2-3-5-13(10)15-18(16,17)12-8-6-11(14)7-9-12/h2-9,15H,14H2,1H3
InChIKeyVNBAGPGLMFYJKB-UHFFFAOYSA-N
XLogP2.38
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.38
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 4-amino-N-(2-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(2-methylphenyl)benzenesulfonamide (CID 593569) is 4-amino-N-(2-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(2-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(2-methylphenyl)benzenesulfonamide is Cc1ccccc1NS(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-(2-methylphenyl)benzenesulfonamide?
The InChIKey is VNBAGPGLMFYJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-10-4-2-3-5-13(10)15-18(16,17)12-8-6-11(14)7-9-12/h2-9,15H,14H2,1H3.
What are the key properties of 4-amino-N-(2-methylphenyl)benzenesulfonamide?
4-amino-N-(2-methylphenyl)benzenesulfonamide has a molecular weight of 262.33 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 593569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).