3-(2,5-Dimethylpyrrol-1-Yl)Sulfonyl-4-(Phenylamino)-5-(Thiophen-3-Ylmethylamino)Benzoic Acid
[CAS# 76557-39-6]

Identification

• Name: 3-(2,5-Dimethylpyrrol-1-Yl)Sulfonyl-4-(Phenylamino)-5-(Thiophen-3-Ylmethylamino)Benzoic Acid
• Synonyms: 3-(2,5-Dimethylpyrrol-1-Yl)Sulfonyl-4-(Phenylamino)-5-(3-Thienylmethylamino)Benzoic Acid; 3-[(2,5-Dimethyl-1-Pyrrolyl)Sulfonyl]-4-(Phenylamino)-5-(3-Thienylmethylamino)Benzoic Acid; Benzoic Acid, 3-((2,5-Dimethyl-1H-Pyrrol-1-Yl)Sulfonyl)-4-(Phenylamino)-5-((3-Thienylmethyl)Amino)-
• Molecular Formula: C₂₄H₂₃N₃O₄S₂
• Molecular Weight: 481.58
• CAS Registry Number: 76557-39-6
• SMILES: C3=C([S](=O)(=O)[N]1C(=CC=C1C)C)C(=C(NCC2=CSC=C2)C=C3C(=O)O)NC4=CC=CC=C4
• InChI: 1S/C24H23N3O4S2/c1-16-8-9-17(2)27(16)33(30,31)22-13-19(24(28)29)12-21(25-14-18-10-11-32-15-18)23(22)26-20-6-4-3-5-7-20/h3-13,15,25-26H,14H2,1-2H3,(H,28,29)
• InChIKey: UTTFVMPLWDWRJD-UHFFFAOYSA-N

Properties

• Density: 1.367g/cm³ (Cal.)
• Boiling point: 701.169°C at 760 mmHg (Cal.)
• Flash point: 377.854°C (Cal.)