phenyl 2-amino-6-(4-fluorophenyl)pyridine-3-sulfonate

C17H13FN2O3S — CID 12031708

IUPACphenyl 2-amino-6-(4-fluorophenyl)pyridine-3-sulfonate
SMILESNc1nc(-c2ccc(F)cc2)ccc1S(=O)(=O)Oc1ccccc1
InChIInChI=1S/C17H13FN2O3S/c18-13-8-6-12(7-9-13)15-10-11-16(17(19)20-15)24(21,22)23-14-4-2-1-3-5-14/h1-11H,(H2,19,20)
InChIKeyICVWDYPSUNOKOG-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.24
Rot. Bonds4

About phenyl 2-amino-6-(4-fluorophenyl)pyridine-3-sulfonate

phenyl 2-amino-6-(4-fluorophenyl)pyridine-3-sulfonate (PubChem CID 12031708) has the molecular formula C17H13FN2O3S and a molecular weight of 344.37 g/mol. Its IUPAC name is phenyl 2-amino-6-(4-fluorophenyl)pyridine-3-sulfonate.

Molecular Properties

Compound Namephenyl 2-amino-6-(4-fluorophenyl)pyridine-3-sulfonate
PubChem CID12031708
Molecular FormulaC17H13FN2O3S
Molecular Weight344.37 g/mol
Exact Mass344.06
IUPAC Namephenyl 2-amino-6-(4-fluorophenyl)pyridine-3-sulfonate
SMILESNc1nc(-c2ccc(F)cc2)ccc1S(=O)(=O)Oc1ccccc1
InChIInChI=1S/C17H13FN2O3S/c18-13-8-6-12(7-9-13)15-10-11-16(17(19)20-15)24(21,22)23-14-4-2-1-3-5-14/h1-11H,(H2,19,20)
InChIKeyICVWDYPSUNOKOG-UHFFFAOYSA-N
XLogP3.24
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of phenyl 2-amino-6-(4-fluorophenyl)pyridine-3-sulfonate?
The IUPAC name of phenyl 2-amino-6-(4-fluorophenyl)pyridine-3-sulfonate (CID 12031708) is phenyl 2-amino-6-(4-fluorophenyl)pyridine-3-sulfonate.
What is the SMILES notation for phenyl 2-amino-6-(4-fluorophenyl)pyridine-3-sulfonate?
The canonical SMILES for phenyl 2-amino-6-(4-fluorophenyl)pyridine-3-sulfonate is Nc1nc(-c2ccc(F)cc2)ccc1S(=O)(=O)Oc1ccccc1.
What is the InChIKey of phenyl 2-amino-6-(4-fluorophenyl)pyridine-3-sulfonate?
The InChIKey is ICVWDYPSUNOKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O3S/c18-13-8-6-12(7-9-13)15-10-11-16(17(19)20-15)24(21,22)23-14-4-2-1-3-5-14/h1-11H,(H2,19,20).
What are the key properties of phenyl 2-amino-6-(4-fluorophenyl)pyridine-3-sulfonate?
phenyl 2-amino-6-(4-fluorophenyl)pyridine-3-sulfonate has a molecular weight of 344.37 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-amino-6-(4-fluorophenyl)pyridine-3-sulfonate is sourced from PubChem (CID 12031708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).