N-(2-diphenylphosphoryl-1-phenylethyl)benzenesulfonamide

C26H24NO3PS — CID 11091802

IUPACN-(2-diphenylphosphoryl-1-phenylethyl)benzenesulfonamide
SMILESO=P(CC(NS(=O)(=O)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H24NO3PS/c28-31(23-15-7-2-8-16-23,24-17-9-3-10-18-24)21-26(22-13-5-1-6-14-22)27-32(29,30)25-19-11-4-12-20-25/h1-20,26-27H,21H2
InChIKeyGTOBUQONQLPILQ-UHFFFAOYSA-N
MW461.52 g/mol
LogP4.72
Rot. Bonds8

About N-(2-diphenylphosphoryl-1-phenylethyl)benzenesulfonamide

N-(2-diphenylphosphoryl-1-phenylethyl)benzenesulfonamide (PubChem CID 11091802) has the molecular formula C26H24NO3PS and a molecular weight of 461.52 g/mol. Its IUPAC name is N-(2-diphenylphosphoryl-1-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-diphenylphosphoryl-1-phenylethyl)benzenesulfonamide
PubChem CID11091802
Molecular FormulaC26H24NO3PS
Molecular Weight461.52 g/mol
Exact Mass461.12
IUPAC NameN-(2-diphenylphosphoryl-1-phenylethyl)benzenesulfonamide
SMILESO=P(CC(NS(=O)(=O)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H24NO3PS/c28-31(23-15-7-2-8-16-23,24-17-9-3-10-18-24)21-26(22-13-5-1-6-14-22)27-32(29,30)25-19-11-4-12-20-25/h1-20,26-27H,21H2
InChIKeyGTOBUQONQLPILQ-UHFFFAOYSA-N
XLogP4.72
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.52
LogP ≤ 54.72
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-[(1R)-2-(benzhydrylamino)-1-phenylethyl]benzenesulfonamide
CID 1369382
4-bromo-N-(2-diphenylphosphoryl-1-phenylethyl)aniline
CID 141410491
1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-disulfonamide
CID 101191621
4-hydrazinyl-N-(1-phenylpropyl)benzenesulfonamide
CID 62305238
N-[(Z)-4-deuterio-1-phenylpent-3-enyl]benzenesulfonamide
CID 10968664
4-phenoxy-N-(1-phenylpropyl)benzenesulfonamide
CID 43904422
3-bromo-N-(2-diphenylphosphoryl-1-phenylethyl)aniline
CID 141410504
N-(2-amino-1-phenylethyl)-4-methylbenzenesulfonamide
CID 18003405
N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzenesulfonamide
CID 8844896
N-(2-hydroxy-1-phenylethyl)-4-propan-2-ylbenzenesulfonamide
CID 4204448
N-(1-phenylethyl)benzenesulfonamide;hydrochloride
CID 70281153
N-[(1S)-2-methyl-1-phenylpropyl]benzenesulfonamide
CID 40522121

Frequently Asked Questions

What is the IUPAC name of N-(2-diphenylphosphoryl-1-phenylethyl)benzenesulfonamide?
The IUPAC name of N-(2-diphenylphosphoryl-1-phenylethyl)benzenesulfonamide (CID 11091802) is N-(2-diphenylphosphoryl-1-phenylethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-diphenylphosphoryl-1-phenylethyl)benzenesulfonamide?
The canonical SMILES for N-(2-diphenylphosphoryl-1-phenylethyl)benzenesulfonamide is O=P(CC(NS(=O)(=O)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(2-diphenylphosphoryl-1-phenylethyl)benzenesulfonamide?
The InChIKey is GTOBUQONQLPILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24NO3PS/c28-31(23-15-7-2-8-16-23,24-17-9-3-10-18-24)21-26(22-13-5-1-6-14-22)27-32(29,30)25-19-11-4-12-20-25/h1-20,26-27H,21H2.
What are the key properties of N-(2-diphenylphosphoryl-1-phenylethyl)benzenesulfonamide?
N-(2-diphenylphosphoryl-1-phenylethyl)benzenesulfonamide has a molecular weight of 461.52 g/mol, XLogP of 4.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-diphenylphosphoryl-1-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 11091802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).