N-[[4-(4-fluorophenyl)phenyl]sulfonylamino]-N-hydroxyoxane-4-carboxamide

C18H19FN2O5S — CID 54206665

IUPACN-[[4-(4-fluorophenyl)phenyl]sulfonylamino]-N-hydroxyoxane-4-carboxamide
SMILESO=C(C1CCOCC1)N(O)NS(=O)(=O)c1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C18H19FN2O5S/c19-16-5-1-13(2-6-16)14-3-7-17(8-4-14)27(24,25)20-21(23)18(22)15-9-11-26-12-10-15/h1-8,15,20,23H,9-12H2
InChIKeyPSYRODKUQMEYMC-UHFFFAOYSA-N
MW394.42 g/mol
LogP2.33
Rot. Bonds5

About N-[[4-(4-fluorophenyl)phenyl]sulfonylamino]-N-hydroxyoxane-4-carboxamide

N-[[4-(4-fluorophenyl)phenyl]sulfonylamino]-N-hydroxyoxane-4-carboxamide (PubChem CID 54206665) has the molecular formula C18H19FN2O5S and a molecular weight of 394.42 g/mol. Its IUPAC name is N-[[4-(4-fluorophenyl)phenyl]sulfonylamino]-N-hydroxyoxane-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(4-fluorophenyl)phenyl]sulfonylamino]-N-hydroxyoxane-4-carboxamide
PubChem CID54206665
Molecular FormulaC18H19FN2O5S
Molecular Weight394.42 g/mol
Exact Mass394.10
IUPAC NameN-[[4-(4-fluorophenyl)phenyl]sulfonylamino]-N-hydroxyoxane-4-carboxamide
SMILESO=C(C1CCOCC1)N(O)NS(=O)(=O)c1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C18H19FN2O5S/c19-16-5-1-13(2-6-16)14-3-7-17(8-4-14)27(24,25)20-21(23)18(22)15-9-11-26-12-10-15/h1-8,15,20,23H,9-12H2
InChIKeyPSYRODKUQMEYMC-UHFFFAOYSA-N
XLogP2.33
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 N-[[4-(4-fluorophenyl)phenyl]sulfonylamino]-N-hydroxyoxane-4-carboxamide?
The IUPAC name of N-[[4-(4-fluorophenyl)phenyl]sulfonylamino]-N-hydroxyoxane-4-carboxamide (CID 54206665) is N-[[4-(4-fluorophenyl)phenyl]sulfonylamino]-N-hydroxyoxane-4-carboxamide.
What is the SMILES notation for N-[[4-(4-fluorophenyl)phenyl]sulfonylamino]-N-hydroxyoxane-4-carboxamide?
The canonical SMILES for N-[[4-(4-fluorophenyl)phenyl]sulfonylamino]-N-hydroxyoxane-4-carboxamide is O=C(C1CCOCC1)N(O)NS(=O)(=O)c1ccc(-c2ccc(F)cc2)cc1.
What is the InChIKey of N-[[4-(4-fluorophenyl)phenyl]sulfonylamino]-N-hydroxyoxane-4-carboxamide?
The InChIKey is PSYRODKUQMEYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O5S/c19-16-5-1-13(2-6-16)14-3-7-17(8-4-14)27(24,25)20-21(23)18(22)15-9-11-26-12-10-15/h1-8,15,20,23H,9-12H2.
What are the key properties of N-[[4-(4-fluorophenyl)phenyl]sulfonylamino]-N-hydroxyoxane-4-carboxamide?
N-[[4-(4-fluorophenyl)phenyl]sulfonylamino]-N-hydroxyoxane-4-carboxamide has a molecular weight of 394.42 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-fluorophenyl)phenyl]sulfonylamino]-N-hydroxyoxane-4-carboxamide is sourced from PubChem (CID 54206665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).