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

C11H11N2O7PS2 — CID 87668429

IUPAC(4-nitrophenoxy)-[(thiophen-3-ylsulfonylamino)methyl]phosphinic acid
SMILESO=[N+]([O-])c1ccc(OP(=O)(O)CNS(=O)(=O)c2ccsc2)cc1
InChIInChI=1S/C11H11N2O7PS2/c14-13(15)9-1-3-10(4-2-9)20-21(16,17)8-12-23(18,19)11-5-6-22-7-11/h1-7,12H,8H2,(H,16,17)
InChIKeyVFAYCKGWNSHXNS-UHFFFAOYSA-N
MW378.32 g/mol
LogP2.16
Rot. Bonds7

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

(4-nitrophenoxy)-[(thiophen-3-ylsulfonylamino)methyl]phosphinic acid (PubChem CID 87668429) has the molecular formula C11H11N2O7PS2 and a molecular weight of 378.32 g/mol. Its IUPAC name is (4-nitrophenoxy)-[(thiophen-3-ylsulfonylamino)methyl]phosphinic acid.

Molecular Properties

Compound Name(4-nitrophenoxy)-[(thiophen-3-ylsulfonylamino)methyl]phosphinic acid
PubChem CID87668429
Molecular FormulaC11H11N2O7PS2
Molecular Weight378.32 g/mol
Exact Mass377.97
IUPAC Name(4-nitrophenoxy)-[(thiophen-3-ylsulfonylamino)methyl]phosphinic acid
SMILESO=[N+]([O-])c1ccc(OP(=O)(O)CNS(=O)(=O)c2ccsc2)cc1
InChIInChI=1S/C11H11N2O7PS2/c14-13(15)9-1-3-10(4-2-9)20-21(16,17)8-12-23(18,19)11-5-6-22-7-11/h1-7,12H,8H2,(H,16,17)
InChIKeyVFAYCKGWNSHXNS-UHFFFAOYSA-N
XLogP2.16
TPSA135.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.32
LogP ≤ 52.16
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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Related Compounds

(2-fluoro-4-nitrophenoxy)-[(thiophen-3-ylsulfonylamino)methyl]phosphinic acid
CID 87668628
(benzylsulfonylamino)methyl-(4-nitrophenoxy)phosphinic acid
CID 12968672
azane;(4-nitrophenyl) dihydrogen phosphate
CID 118856328
N-(benzenesulfonamido)-(4-nitrophenoxy)phosphonamidic acid
CID 67121222
(4-nitrophenyl) hydrogen phosphate;silver
CID 173436602
chloro-(4-nitrophenoxy)phosphinic acid
CID 54199741
2-(4-nitrophenoxy)-N'-(4-nitrophenyl)sulfonylacetohydrazide
CID 19166679
bis(2-amino-2-(hydroxymethyl)propane-1,3-diol);(4-nitrophenyl) dihydrogen phosphate;hydrate
CID 91886329
amino (4-nitrophenyl) hydrogen phosphate
CID 69185179
(4-nitrophenyl) phosphate
CID 4686862
azane;(4-nitrophenyl) phenyl hydrogen phosphate
CID 154734089
N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)-4-nitrobenzenesulfonamide
CID 16933141

Frequently Asked Questions

What is the IUPAC name of (4-nitrophenoxy)-[(thiophen-3-ylsulfonylamino)methyl]phosphinic acid?
The IUPAC name of (4-nitrophenoxy)-[(thiophen-3-ylsulfonylamino)methyl]phosphinic acid (CID 87668429) is (4-nitrophenoxy)-[(thiophen-3-ylsulfonylamino)methyl]phosphinic acid.
What is the SMILES notation for (4-nitrophenoxy)-[(thiophen-3-ylsulfonylamino)methyl]phosphinic acid?
The canonical SMILES for (4-nitrophenoxy)-[(thiophen-3-ylsulfonylamino)methyl]phosphinic acid is O=[N+]([O-])c1ccc(OP(=O)(O)CNS(=O)(=O)c2ccsc2)cc1.
What is the InChIKey of (4-nitrophenoxy)-[(thiophen-3-ylsulfonylamino)methyl]phosphinic acid?
The InChIKey is VFAYCKGWNSHXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N2O7PS2/c14-13(15)9-1-3-10(4-2-9)20-21(16,17)8-12-23(18,19)11-5-6-22-7-11/h1-7,12H,8H2,(H,16,17).
What are the key properties of (4-nitrophenoxy)-[(thiophen-3-ylsulfonylamino)methyl]phosphinic acid?
(4-nitrophenoxy)-[(thiophen-3-ylsulfonylamino)methyl]phosphinic acid has a molecular weight of 378.32 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitrophenoxy)-[(thiophen-3-ylsulfonylamino)methyl]phosphinic acid is sourced from PubChem (CID 87668429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).