4-(morpholine-4-sulfonyl)-1H-pyrrole-2-carbohydrazide

• ChemBase ID: 250372
• Molecular Formular: C9H14N4O4S
• Molecular Mass: 274.29686
• Monoisotopic Mass: 274.07357595
• SMILES: S(=O)(=O)(c1cc([nH]c1)C(=O)NN)N1CCOCC1
• Canonical SMILES: NNC(=O)c1[nH]cc(c1)S(=O)(=O)N1CCOCC1
• InChI: InChI=1S/C9H14N4O4S/c10-12-9(14)8-5-7(6-11-8)18(15,16)13-1-3-17-4-2-13/h5-6,11H,1-4,10H2,(H,12,14)
• InChIKey: BVCAJCOENAMUSV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(morpholine-4-sulfonyl)-1H-pyrrole-2-carbohydrazide
• IUPAC Traditional name: 4-(morpholine-4-sulfonyl)-1H-pyrrole-2-carbohydrazide
• Synonyms: 4-(morpholin-4-ylsulfonyl)-1H-pyrrole-2-carbohydrazide

Database IDs

• MDL Number: MFCD07346305
• PubChem SID: 164306282
• PubChem CID: 7130994

CALCULATED PROPERTIES

• Acid pKa: 10.049659
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -1.6387641
• LogD (pH = 7.4): -1.6387719
• Log P: -1.6378219
• Molar Refractivity: 65.2826 cm^3
• Polarizability: 25.103312 Å^3
• Polar Surface Area: 117.52 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.08

Product Information

• Purity: 95%