N-[(R)-diphenoxyphosphoryl-(4-fluorophenyl)methyl]benzenesulfonamide

C25H21FNO5PS — CID 2307158

IUPACN-[(R)-diphenoxyphosphoryl-(4-fluorophenyl)methyl]benzenesulfonamide
SMILESO=P(Oc1ccccc1)(Oc1ccccc1)[C@@H](NS(=O)(=O)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C25H21FNO5PS/c26-21-18-16-20(17-19-21)25(27-34(29,30)24-14-8-3-9-15-24)33(28,31-22-10-4-1-5-11-22)32-23-12-6-2-7-13-23/h1-19,25,27H/t25-/m1/s1
InChIKeyHUJTXAFHLNZPHP-RUZDIDTESA-N
MW497.48 g/mol
LogP6.15
Rot. Bonds9

About N-[(R)-diphenoxyphosphoryl-(4-fluorophenyl)methyl]benzenesulfonamide

N-[(R)-diphenoxyphosphoryl-(4-fluorophenyl)methyl]benzenesulfonamide (PubChem CID 2307158) has the molecular formula C25H21FNO5PS and a molecular weight of 497.48 g/mol. Its IUPAC name is N-[(R)-diphenoxyphosphoryl-(4-fluorophenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(R)-diphenoxyphosphoryl-(4-fluorophenyl)methyl]benzenesulfonamide
PubChem CID2307158
Molecular FormulaC25H21FNO5PS
Molecular Weight497.48 g/mol
Exact Mass497.09
IUPAC NameN-[(R)-diphenoxyphosphoryl-(4-fluorophenyl)methyl]benzenesulfonamide
SMILESO=P(Oc1ccccc1)(Oc1ccccc1)[C@@H](NS(=O)(=O)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C25H21FNO5PS/c26-21-18-16-20(17-19-21)25(27-34(29,30)24-14-8-3-9-15-24)33(28,31-22-10-4-1-5-11-22)32-23-12-6-2-7-13-23/h1-19,25,27H/t25-/m1/s1
InChIKeyHUJTXAFHLNZPHP-RUZDIDTESA-N
XLogP6.15
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.48
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(R)-diphenoxyphosphoryl-(4-fluorophenyl)methyl]benzenesulfonamide?
The IUPAC name of N-[(R)-diphenoxyphosphoryl-(4-fluorophenyl)methyl]benzenesulfonamide (CID 2307158) is N-[(R)-diphenoxyphosphoryl-(4-fluorophenyl)methyl]benzenesulfonamide.
What is the SMILES notation for N-[(R)-diphenoxyphosphoryl-(4-fluorophenyl)methyl]benzenesulfonamide?
The canonical SMILES for N-[(R)-diphenoxyphosphoryl-(4-fluorophenyl)methyl]benzenesulfonamide is O=P(Oc1ccccc1)(Oc1ccccc1)[C@@H](NS(=O)(=O)c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of N-[(R)-diphenoxyphosphoryl-(4-fluorophenyl)methyl]benzenesulfonamide?
The InChIKey is HUJTXAFHLNZPHP-RUZDIDTESA-N. The full InChI is InChI=1S/C25H21FNO5PS/c26-21-18-16-20(17-19-21)25(27-34(29,30)24-14-8-3-9-15-24)33(28,31-22-10-4-1-5-11-22)32-23-12-6-2-7-13-23/h1-19,25,27H/t25-/m1/s1.
What are the key properties of N-[(R)-diphenoxyphosphoryl-(4-fluorophenyl)methyl]benzenesulfonamide?
N-[(R)-diphenoxyphosphoryl-(4-fluorophenyl)methyl]benzenesulfonamide has a molecular weight of 497.48 g/mol, XLogP of 6.15, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-diphenoxyphosphoryl-(4-fluorophenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 2307158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).