5-(diethylamino)-2-[(5-ethyl-1,2-oxazol-3-yl)diazenyl]-4-fluorobenzenesulfonic acid

C15H19FN4O4S — CID 20654683

IUPAC5-(diethylamino)-2-[(5-ethyl-1,2-oxazol-3-yl)diazenyl]-4-fluorobenzenesulfonic acid
SMILESCCc1cc(/N=N/c2cc(F)c(N(CC)CC)cc2S(=O)(=O)O)no1
InChIInChI=1S/C15H19FN4O4S/c1-4-10-7-15(19-24-10)18-17-12-8-11(16)13(20(5-2)6-3)9-14(12)25(21,22)23/h7-9H,4-6H2,1-3H3,(H,21,22,23)/b18-17+
InChIKeyUULGXIKHTCOZAG-ISLYRVAYSA-N
MW370.41 g/mol
LogP3.88
Rot. Bonds7

About 5-(diethylamino)-2-[(5-ethyl-1,2-oxazol-3-yl)diazenyl]-4-fluorobenzenesulfonic acid

5-(diethylamino)-2-[(5-ethyl-1,2-oxazol-3-yl)diazenyl]-4-fluorobenzenesulfonic acid (PubChem CID 20654683) has the molecular formula C15H19FN4O4S and a molecular weight of 370.41 g/mol. Its IUPAC name is 5-(diethylamino)-2-[(5-ethyl-1,2-oxazol-3-yl)diazenyl]-4-fluorobenzenesulfonic acid.

Molecular Properties

Compound Name5-(diethylamino)-2-[(5-ethyl-1,2-oxazol-3-yl)diazenyl]-4-fluorobenzenesulfonic acid
PubChem CID20654683
Molecular FormulaC15H19FN4O4S
Molecular Weight370.41 g/mol
Exact Mass370.11
IUPAC Name5-(diethylamino)-2-[(5-ethyl-1,2-oxazol-3-yl)diazenyl]-4-fluorobenzenesulfonic acid
SMILESCCc1cc(/N=N/c2cc(F)c(N(CC)CC)cc2S(=O)(=O)O)no1
InChIInChI=1S/C15H19FN4O4S/c1-4-10-7-15(19-24-10)18-17-12-8-11(16)13(20(5-2)6-3)9-14(12)25(21,22)23/h7-9H,4-6H2,1-3H3,(H,21,22,23)/b18-17+
InChIKeyUULGXIKHTCOZAG-ISLYRVAYSA-N
XLogP3.88
TPSA108.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(diethylamino)-2-[(5-ethyl-1,2-oxazol-3-yl)diazenyl]-4-fluorobenzenesulfonic acid?
The IUPAC name of 5-(diethylamino)-2-[(5-ethyl-1,2-oxazol-3-yl)diazenyl]-4-fluorobenzenesulfonic acid (CID 20654683) is 5-(diethylamino)-2-[(5-ethyl-1,2-oxazol-3-yl)diazenyl]-4-fluorobenzenesulfonic acid.
What is the SMILES notation for 5-(diethylamino)-2-[(5-ethyl-1,2-oxazol-3-yl)diazenyl]-4-fluorobenzenesulfonic acid?
The canonical SMILES for 5-(diethylamino)-2-[(5-ethyl-1,2-oxazol-3-yl)diazenyl]-4-fluorobenzenesulfonic acid is CCc1cc(/N=N/c2cc(F)c(N(CC)CC)cc2S(=O)(=O)O)no1.
What is the InChIKey of 5-(diethylamino)-2-[(5-ethyl-1,2-oxazol-3-yl)diazenyl]-4-fluorobenzenesulfonic acid?
The InChIKey is UULGXIKHTCOZAG-ISLYRVAYSA-N. The full InChI is InChI=1S/C15H19FN4O4S/c1-4-10-7-15(19-24-10)18-17-12-8-11(16)13(20(5-2)6-3)9-14(12)25(21,22)23/h7-9H,4-6H2,1-3H3,(H,21,22,23)/b18-17+.
What are the key properties of 5-(diethylamino)-2-[(5-ethyl-1,2-oxazol-3-yl)diazenyl]-4-fluorobenzenesulfonic acid?
5-(diethylamino)-2-[(5-ethyl-1,2-oxazol-3-yl)diazenyl]-4-fluorobenzenesulfonic acid has a molecular weight of 370.41 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-2-[(5-ethyl-1,2-oxazol-3-yl)diazenyl]-4-fluorobenzenesulfonic acid is sourced from PubChem (CID 20654683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).