3-([(1-Phenylethyl)amino]sulfonyl)benzoic acid

• Catalog Number: ACMA00001190
• Category: Amines
• Molecular Weight: 305.35
• Molecular Formula: C₁₅H₁₁NO₃
• Hazard Statements: H302-H317
• RIDADR: NONH for all modes of transport
• Symbol: GHS07

Custom Q&A

What is the PubChem CID of the compound?

The PubChem CID of the compound is 257438.

What is the molecular formula of the compound?

The molecular formula of the compound is C15H15NO4S.

What are the synonyms of the compound?

Some synonyms of the compound include:
3-[(1-phenylethyl)sulfamoyl]benzoic acid
790681-77-5
3-{[(1-phenylethyl)amino]sulfonyl}benzoic acid
3-(1-phenylethylsulfamoyl)benzoic acid

What is the molecular weight of the compound?

The molecular weight of the compound is 305.4 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 3-(1-phenylethylsulfamoyl)benzoic acid.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C15H15NO4S/c1-11(12-6-3-2-4-7-12)16-21(19,20)14-9-5-8-13(10-14)15(17)18/h2-11,16H,1H3,(H,17,18).

What is the InChIKey of the compound?

The InChIKey of the compound is KNUYAGSTPJYRSY-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is CC(C1=CC=CC=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)O.

What is the NSC Number of the compound?

The NSC Number of the compound is 85455.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value of the compound is 2.3.