5-[(4-fluorophenyl)sulfonylmethyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide

C14H13FN2O6S — CID 127041520

IUPAC5-[(4-fluorophenyl)sulfonylmethyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide
SMILESO=C(NO)c1ncc(CS(=O)(=O)c2ccc(F)cc2)c(CO)c1O
InChIInChI=1S/C14H13FN2O6S/c15-9-1-3-10(4-2-9)24(22,23)7-8-5-16-12(14(20)17-21)13(19)11(8)6-18/h1-5,18-19,21H,6-7H2,(H,17,20)
InChIKeyGQKIABPJTYQFGB-UHFFFAOYSA-N
MW356.33 g/mol
LogP0.51
Rot. Bonds5

About 5-[(4-fluorophenyl)sulfonylmethyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide

5-[(4-fluorophenyl)sulfonylmethyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide (PubChem CID 127041520) has the molecular formula C14H13FN2O6S and a molecular weight of 356.33 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)sulfonylmethyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(4-fluorophenyl)sulfonylmethyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide
PubChem CID127041520
Molecular FormulaC14H13FN2O6S
Molecular Weight356.33 g/mol
Exact Mass356.05
IUPAC Name5-[(4-fluorophenyl)sulfonylmethyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide
SMILESO=C(NO)c1ncc(CS(=O)(=O)c2ccc(F)cc2)c(CO)c1O
InChIInChI=1S/C14H13FN2O6S/c15-9-1-3-10(4-2-9)24(22,23)7-8-5-16-12(14(20)17-21)13(19)11(8)6-18/h1-5,18-19,21H,6-7H2,(H,17,20)
InChIKeyGQKIABPJTYQFGB-UHFFFAOYSA-N
XLogP0.51
TPSA136.82 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 50.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)sulfonylmethyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide?
The IUPAC name of 5-[(4-fluorophenyl)sulfonylmethyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide (CID 127041520) is 5-[(4-fluorophenyl)sulfonylmethyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[(4-fluorophenyl)sulfonylmethyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-[(4-fluorophenyl)sulfonylmethyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide is O=C(NO)c1ncc(CS(=O)(=O)c2ccc(F)cc2)c(CO)c1O.
What is the InChIKey of 5-[(4-fluorophenyl)sulfonylmethyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide?
The InChIKey is GQKIABPJTYQFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O6S/c15-9-1-3-10(4-2-9)24(22,23)7-8-5-16-12(14(20)17-21)13(19)11(8)6-18/h1-5,18-19,21H,6-7H2,(H,17,20).
What are the key properties of 5-[(4-fluorophenyl)sulfonylmethyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide?
5-[(4-fluorophenyl)sulfonylmethyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide has a molecular weight of 356.33 g/mol, XLogP of 0.51, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)sulfonylmethyl]-N,3-dihydroxy-4-(hydroxymethyl)pyridine-2-carboxamide is sourced from PubChem (CID 127041520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).