N-[diphenylphosphoryl-(4-fluorophenyl)methyl]benzenesulfonamide

C25H21FNO3PS — CID 3670731

IUPACN-[diphenylphosphoryl-(4-fluorophenyl)methyl]benzenesulfonamide
SMILESO=P(c1ccccc1)(c1ccccc1)C(NS(=O)(=O)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C25H21FNO3PS/c26-21-18-16-20(17-19-21)25(27-32(29,30)24-14-8-3-9-15-24)31(28,22-10-4-1-5-11-22)23-12-6-2-7-13-23/h1-19,25,27H
InChIKeyFZMIDGFBSKQYFP-UHFFFAOYSA-N
MW465.49 g/mol
LogP4.82
Rot. Bonds7

About N-[diphenylphosphoryl-(4-fluorophenyl)methyl]benzenesulfonamide

N-[diphenylphosphoryl-(4-fluorophenyl)methyl]benzenesulfonamide (PubChem CID 3670731) has the molecular formula C25H21FNO3PS and a molecular weight of 465.49 g/mol. Its IUPAC name is N-[diphenylphosphoryl-(4-fluorophenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[diphenylphosphoryl-(4-fluorophenyl)methyl]benzenesulfonamide
PubChem CID3670731
Molecular FormulaC25H21FNO3PS
Molecular Weight465.49 g/mol
Exact Mass465.10
IUPAC NameN-[diphenylphosphoryl-(4-fluorophenyl)methyl]benzenesulfonamide
SMILESO=P(c1ccccc1)(c1ccccc1)C(NS(=O)(=O)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C25H21FNO3PS/c26-21-18-16-20(17-19-21)25(27-32(29,30)24-14-8-3-9-15-24)31(28,22-10-4-1-5-11-22)23-12-6-2-7-13-23/h1-19,25,27H
InChIKeyFZMIDGFBSKQYFP-UHFFFAOYSA-N
XLogP4.82
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.49
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(R)-diphenoxyphosphoryl-(4-fluorophenyl)methyl]benzenesulfonamide
CID 2307158
N-[(3,4-dimethoxyphenyl)-diphenylphosphorylmethyl]-4-methylbenzenesulfonamide
CID 21204749
4-fluoro-N-[1-(4-phenylphenyl)ethyl]benzenesulfonamide
CID 171777388
N-[(4-bromophenyl)-diphenoxyphosphorylmethyl]benzenesulfonamide
CID 21179229
N-[cyano(phenyl)methyl]-4-fluorobenzenesulfonamide
CID 3876114
N-(2-diphenylphosphoryl-1-phenylethyl)benzenesulfonamide
CID 11091802
[benzenesulfonamido(phosphono)methyl]phosphonic acid
CID 10068042
N-(1,3-difluoropropan-2-yl)benzenesulfonamide
CID 67606525
N-[(S)-diphenylphosphoryl-(2-nitrophenyl)methyl]naphthalene-2-sulfonamide
CID 2320675
N-(1-diphenylphosphorylbutyl)-4-methylbenzenesulfonamide
CID 21427381
N-[1-(4-fluorophenyl)ethyl]-N-methylbenzenesulfonamide
CID 47096598
N-benzhydryl-3-fluorobenzenesulfonamide
CID 3697866

Frequently Asked Questions

What is the IUPAC name of N-[diphenylphosphoryl-(4-fluorophenyl)methyl]benzenesulfonamide?
The IUPAC name of N-[diphenylphosphoryl-(4-fluorophenyl)methyl]benzenesulfonamide (CID 3670731) is N-[diphenylphosphoryl-(4-fluorophenyl)methyl]benzenesulfonamide.
What is the SMILES notation for N-[diphenylphosphoryl-(4-fluorophenyl)methyl]benzenesulfonamide?
The canonical SMILES for N-[diphenylphosphoryl-(4-fluorophenyl)methyl]benzenesulfonamide is O=P(c1ccccc1)(c1ccccc1)C(NS(=O)(=O)c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of N-[diphenylphosphoryl-(4-fluorophenyl)methyl]benzenesulfonamide?
The InChIKey is FZMIDGFBSKQYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FNO3PS/c26-21-18-16-20(17-19-21)25(27-32(29,30)24-14-8-3-9-15-24)31(28,22-10-4-1-5-11-22)23-12-6-2-7-13-23/h1-19,25,27H.
What are the key properties of N-[diphenylphosphoryl-(4-fluorophenyl)methyl]benzenesulfonamide?
N-[diphenylphosphoryl-(4-fluorophenyl)methyl]benzenesulfonamide has a molecular weight of 465.49 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[diphenylphosphoryl-(4-fluorophenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 3670731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).