(2-fluoro-4-nitrophenoxy)-[(thiophen-3-ylsulfonylamino)methyl]phosphinic acid

C11H10FN2O7PS2 — CID 87668628

IUPAC(2-fluoro-4-nitrophenoxy)-[(thiophen-3-ylsulfonylamino)methyl]phosphinic acid
SMILESO=[N+]([O-])c1ccc(OP(=O)(O)CNS(=O)(=O)c2ccsc2)c(F)c1
InChIInChI=1S/C11H10FN2O7PS2/c12-10-5-8(14(15)16)1-2-11(10)21-22(17,18)7-13-24(19,20)9-3-4-23-6-9/h1-6,13H,7H2,(H,17,18)
InChIKeyFDRMYFLXXSLWBK-UHFFFAOYSA-N
MW396.31 g/mol
LogP2.30
Rot. Bonds7

About (2-fluoro-4-nitrophenoxy)-[(thiophen-3-ylsulfonylamino)methyl]phosphinic acid

(2-fluoro-4-nitrophenoxy)-[(thiophen-3-ylsulfonylamino)methyl]phosphinic acid (PubChem CID 87668628) has the molecular formula C11H10FN2O7PS2 and a molecular weight of 396.31 g/mol. Its IUPAC name is (2-fluoro-4-nitrophenoxy)-[(thiophen-3-ylsulfonylamino)methyl]phosphinic acid.

Molecular Properties

Compound Name(2-fluoro-4-nitrophenoxy)-[(thiophen-3-ylsulfonylamino)methyl]phosphinic acid
PubChem CID87668628
Molecular FormulaC11H10FN2O7PS2
Molecular Weight396.31 g/mol
Exact Mass395.97
IUPAC Name(2-fluoro-4-nitrophenoxy)-[(thiophen-3-ylsulfonylamino)methyl]phosphinic acid
SMILESO=[N+]([O-])c1ccc(OP(=O)(O)CNS(=O)(=O)c2ccsc2)c(F)c1
InChIInChI=1S/C11H10FN2O7PS2/c12-10-5-8(14(15)16)1-2-11(10)21-22(17,18)7-13-24(19,20)9-3-4-23-6-9/h1-6,13H,7H2,(H,17,18)
InChIKeyFDRMYFLXXSLWBK-UHFFFAOYSA-N
XLogP2.30
TPSA135.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.31
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4-nitrophenoxy)-[(thiophen-3-ylsulfonylamino)methyl]phosphinic acid?
The IUPAC name of (2-fluoro-4-nitrophenoxy)-[(thiophen-3-ylsulfonylamino)methyl]phosphinic acid (CID 87668628) is (2-fluoro-4-nitrophenoxy)-[(thiophen-3-ylsulfonylamino)methyl]phosphinic acid.
What is the SMILES notation for (2-fluoro-4-nitrophenoxy)-[(thiophen-3-ylsulfonylamino)methyl]phosphinic acid?
The canonical SMILES for (2-fluoro-4-nitrophenoxy)-[(thiophen-3-ylsulfonylamino)methyl]phosphinic acid is O=[N+]([O-])c1ccc(OP(=O)(O)CNS(=O)(=O)c2ccsc2)c(F)c1.
What is the InChIKey of (2-fluoro-4-nitrophenoxy)-[(thiophen-3-ylsulfonylamino)methyl]phosphinic acid?
The InChIKey is FDRMYFLXXSLWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN2O7PS2/c12-10-5-8(14(15)16)1-2-11(10)21-22(17,18)7-13-24(19,20)9-3-4-23-6-9/h1-6,13H,7H2,(H,17,18).
What are the key properties of (2-fluoro-4-nitrophenoxy)-[(thiophen-3-ylsulfonylamino)methyl]phosphinic acid?
(2-fluoro-4-nitrophenoxy)-[(thiophen-3-ylsulfonylamino)methyl]phosphinic acid has a molecular weight of 396.31 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4-nitrophenoxy)-[(thiophen-3-ylsulfonylamino)methyl]phosphinic acid is sourced from PubChem (CID 87668628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).