4-(morpholine-4-sulfonyl)aniline

• ChemBase ID: 13995
• Molecular Formular: C10H14N2O3S
• Molecular Mass: 242.29476
• Monoisotopic Mass: 242.07251332
• SMILES: S(=O)(=O)(N1CCOCC1)c1ccc(N)cc1
• Canonical SMILES: Nc1ccc(cc1)S(=O)(=O)N1CCOCC1
• InChI: InChI=1S/C10H14N2O3S/c11-9-1-3-10(4-2-9)16(13,14)12-5-7-15-8-6-12/h1-4H,5-8,11H2
• InChIKey: FTKHPQFFQRKOJC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(morpholine-4-sulfonyl)aniline
• IUPAC Traditional name: 4-(morpholine-4-sulfonyl)aniline
• Synonyms: 4-[(4-Aminophenyl)sulphonyl]morpholine; 4-Aminophenyl morpholin-4-yl sulphone; 4-[(Morpholin-4-yl)sulphonyl]aniline; 4-(morpholin-4-ylsulfonyl)aniline; Sulfanilic acid, morpholide; 4-(Morpholine-4-sulfonyl)-phenylamine; 4-(morpholinosulfonyl)aniline

Database IDs

• CAS Number: 21626-70-0
• MDL Number: MFCD00277213
• PubChem SID: 160977302
• PubChem CID: 210794

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.021079905
• LogD (pH = 7.4): -0.020801242
• Log P: -0.020797689
• Molar Refractivity: 61.7842 cm^3
• Polarizability: 24.119614 Å^3
• Polar Surface Area: 72.63 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 147 - 149°C; 216-218°C
• Partition Coefficient: -0.454
• Hydrophobicity(logP): 0.556

Safety Information

• Storage Warning: Harmful/Irritant/Light Sensitive/Air Sensitive/Keep Cold/Store under Argon; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%; 97%; 98%