AJ-333/36115001
Basic information
- CAS
61941-76-2- Standard SMILES
NS(=O)(=O)c1cccnc1NCc1ccco1- InChIKey
YBSFGPPVRXOOOL-UHFFFAOYSA-N- Molecular formula
- C10H11N3O3S
- Average molar mass
- 253.28 g/mol
- Monoisotopic mass
- 253.05211239
Names & identifiers
- Preferred name
- AJ-333/36115001
- IUPAC
- 2-(furan-2-ylmethylamino)pyridine-3-sulfonamide
- English name
- 2-[(2-furylmethyl)amino]-3-pyridinesulfonamide
- Molecular formula
- C10H11N3O3S
- Molecular weight
- 253.28
Names & synonyms
61941-76-2AJ-333/36115001DTXSID20358550RefChem:317861DTXCID403096052-((Furan-2-ylmethyl)amino)pyridine-3-sulfonamide3-Pyridinesulfonamide, 2-[(2-furanylmethyl)amino]-2-(furan-2-ylmethylamino)pyridine-3-sulfonamide2-[(2-furylmethyl)amino]-3-pyridinesulfonamideOprea1_130726CHEMBL34365722-{[(Furan-2-yl)methyl]amino}pyridine-3-sulfonamide
Database identifiers
- CAS
61941-76-2- PubChem CID
- 902010
- DTXSID
DTXSID20358550- ChEMBL
CHEMBL3436572
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 341
Physicochemical properties
- Melting point
- 105 · 105-107 °C
- Boiling point
- 474.5 · 474.5±55.0 °C(Predicted)
- Density
- 1.45 · 1.450±0.06 g/cm3(Predicted)
- pka
- 9.56 · 9.56±0.60(Predicted)
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Related reactions
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Compound notes
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