1-(2-hydroxy-5-nitrophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride

C10H9FN2O6S — CID 168715360

IUPAC1-(2-hydroxy-5-nitrophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C10H9FN2O6S/c11-20(18,19)7-4-10(15)12(5-7)8-3-6(13(16)17)1-2-9(8)14/h1-3,7,14H,4-5H2
InChIKeyZRDCYSLZHRBIFV-UHFFFAOYSA-N
MW304.25 g/mol
LogP0.70
Rot. Bonds3

About 1-(2-hydroxy-5-nitrophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride

1-(2-hydroxy-5-nitrophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168715360) has the molecular formula C10H9FN2O6S and a molecular weight of 304.25 g/mol. Its IUPAC name is 1-(2-hydroxy-5-nitrophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-(2-hydroxy-5-nitrophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168715360
Molecular FormulaC10H9FN2O6S
Molecular Weight304.25 g/mol
Exact Mass304.02
IUPAC Name1-(2-hydroxy-5-nitrophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C10H9FN2O6S/c11-20(18,19)7-4-10(15)12(5-7)8-3-6(13(16)17)1-2-9(8)14/h1-3,7,14H,4-5H2
InChIKeyZRDCYSLZHRBIFV-UHFFFAOYSA-N
XLogP0.70
TPSA117.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.25
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', '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 1-(2-hydroxy-5-nitrophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-(2-hydroxy-5-nitrophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168715360) is 1-(2-hydroxy-5-nitrophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-(2-hydroxy-5-nitrophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-(2-hydroxy-5-nitrophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride is O=C1CC(S(=O)(=O)F)CN1c1cc([N+](=O)[O-])ccc1O.
What is the InChIKey of 1-(2-hydroxy-5-nitrophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is ZRDCYSLZHRBIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O6S/c11-20(18,19)7-4-10(15)12(5-7)8-3-6(13(16)17)1-2-9(8)14/h1-3,7,14H,4-5H2.
What are the key properties of 1-(2-hydroxy-5-nitrophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
1-(2-hydroxy-5-nitrophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 304.25 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-5-nitrophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168715360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).