N-[4-(4-fluorophenoxy)phenyl]sulfonyl-N-hydroxyoxolane-3-carboxamide

C17H16FNO6S — CID 90810397

IUPACN-[4-(4-fluorophenoxy)phenyl]sulfonyl-N-hydroxyoxolane-3-carboxamide
SMILESO=C(C1CCOC1)N(O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1
InChIInChI=1S/C17H16FNO6S/c18-13-1-3-14(4-2-13)25-15-5-7-16(8-6-15)26(22,23)19(21)17(20)12-9-10-24-11-12/h1-8,12,21H,9-11H2
InChIKeyQYRHFFLRNOUAKI-UHFFFAOYSA-N
MW381.38 g/mol
LogP2.56
Rot. Bonds5

About N-[4-(4-fluorophenoxy)phenyl]sulfonyl-N-hydroxyoxolane-3-carboxamide

N-[4-(4-fluorophenoxy)phenyl]sulfonyl-N-hydroxyoxolane-3-carboxamide (PubChem CID 90810397) has the molecular formula C17H16FNO6S and a molecular weight of 381.38 g/mol. Its IUPAC name is N-[4-(4-fluorophenoxy)phenyl]sulfonyl-N-hydroxyoxolane-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenoxy)phenyl]sulfonyl-N-hydroxyoxolane-3-carboxamide
PubChem CID90810397
Molecular FormulaC17H16FNO6S
Molecular Weight381.38 g/mol
Exact Mass381.07
IUPAC NameN-[4-(4-fluorophenoxy)phenyl]sulfonyl-N-hydroxyoxolane-3-carboxamide
SMILESO=C(C1CCOC1)N(O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1
InChIInChI=1S/C17H16FNO6S/c18-13-1-3-14(4-2-13)25-15-5-7-16(8-6-15)26(22,23)19(21)17(20)12-9-10-24-11-12/h1-8,12,21H,9-11H2
InChIKeyQYRHFFLRNOUAKI-UHFFFAOYSA-N
XLogP2.56
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-fluorophenoxy)phenyl]sulfonyl-N-hydroxyoxolane-3-carboxamide?
The IUPAC name of N-[4-(4-fluorophenoxy)phenyl]sulfonyl-N-hydroxyoxolane-3-carboxamide (CID 90810397) is N-[4-(4-fluorophenoxy)phenyl]sulfonyl-N-hydroxyoxolane-3-carboxamide.
What is the SMILES notation for N-[4-(4-fluorophenoxy)phenyl]sulfonyl-N-hydroxyoxolane-3-carboxamide?
The canonical SMILES for N-[4-(4-fluorophenoxy)phenyl]sulfonyl-N-hydroxyoxolane-3-carboxamide is O=C(C1CCOC1)N(O)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1.
What is the InChIKey of N-[4-(4-fluorophenoxy)phenyl]sulfonyl-N-hydroxyoxolane-3-carboxamide?
The InChIKey is QYRHFFLRNOUAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO6S/c18-13-1-3-14(4-2-13)25-15-5-7-16(8-6-15)26(22,23)19(21)17(20)12-9-10-24-11-12/h1-8,12,21H,9-11H2.
What are the key properties of N-[4-(4-fluorophenoxy)phenyl]sulfonyl-N-hydroxyoxolane-3-carboxamide?
N-[4-(4-fluorophenoxy)phenyl]sulfonyl-N-hydroxyoxolane-3-carboxamide has a molecular weight of 381.38 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenoxy)phenyl]sulfonyl-N-hydroxyoxolane-3-carboxamide is sourced from PubChem (CID 90810397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).