N-[diethoxyphosphoryl(diphenyl)methyl]-4-methylbenzenesulfonamide

C24H28NO5PS — CID 15852324

IUPACN-[diethoxyphosphoryl(diphenyl)methyl]-4-methylbenzenesulfonamide
SMILESCCOP(=O)(OCC)C(NS(=O)(=O)c1ccc(C)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H28NO5PS/c1-4-29-31(26,30-5-2)24(21-12-8-6-9-13-21,22-14-10-7-11-15-22)25-32(27,28)23-18-16-20(3)17-19-23/h6-19,25H,4-5H2,1-3H3
InChIKeyQGNPSMHIPZLSFJ-UHFFFAOYSA-N
MW473.53 g/mol
LogP5.44
Rot. Bonds10

About N-[diethoxyphosphoryl(diphenyl)methyl]-4-methylbenzenesulfonamide

N-[diethoxyphosphoryl(diphenyl)methyl]-4-methylbenzenesulfonamide (PubChem CID 15852324) has the molecular formula C24H28NO5PS and a molecular weight of 473.53 g/mol. Its IUPAC name is N-[diethoxyphosphoryl(diphenyl)methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[diethoxyphosphoryl(diphenyl)methyl]-4-methylbenzenesulfonamide
PubChem CID15852324
Molecular FormulaC24H28NO5PS
Molecular Weight473.53 g/mol
Exact Mass473.14
IUPAC NameN-[diethoxyphosphoryl(diphenyl)methyl]-4-methylbenzenesulfonamide
SMILESCCOP(=O)(OCC)C(NS(=O)(=O)c1ccc(C)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H28NO5PS/c1-4-29-31(26,30-5-2)24(21-12-8-6-9-13-21,22-14-10-7-11-15-22)25-32(27,28)23-18-16-20(3)17-19-23/h6-19,25H,4-5H2,1-3H3
InChIKeyQGNPSMHIPZLSFJ-UHFFFAOYSA-N
XLogP5.44
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.53
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S)-1-hydroxy-1-phenylpropyl]-4-methylbenzenesulfonamide
CID 21032380
ethyl (2R)-3-methylidene-2-[(4-methylphenyl)sulfonylamino]-4-oxo-2-phenylhexanoate
CID 134949166
4-methyl-N-(2,2,2-trichloro-1-diethoxyphosphorylethyl)benzenesulfonamide
CID 11476152
4-methyl-N-(1,1,1-trifluoro-2-phenylpropan-2-yl)benzenesulfonamide
CID 75458388
N-(1-cyano-1-phenylbutyl)-4-methylbenzenesulfonamide
CID 135070539
N-[(1R)-1-(4-methoxyphenyl)-1-phenylethyl]-4-methylbenzenesulfonamide
CID 102049077
4-methyl-N-(1-nitro-2-phenylpropan-2-yl)benzenesulfonamide
CID 135011413
N-[[4-[diethoxyphosphoryl(difluoro)methyl]phenyl]methyl]benzenesulfonamide
CID 86605697
N-[[dimethyl(phenyl)silyl]-diphenylmethyl]-4-methylbenzenesulfonamide
CID 102294028
4-chloro-N-[2,2,2-trichloro-1-diethoxyphosphoryl-1-(2-hydroxyethylsulfanyl)ethyl]benzenesulfonamide
CID 11376071
ethyl (2S,3E)-2-methyl-3-[(4-methylphenyl)sulfonylhydrazinylidene]-2-phenylpropanoate
CID 92527840
4-methyl-N-[1-[methyl(diphenyl)silyl]-1-phenylheptyl]benzenesulfonamide
CID 164685134

Frequently Asked Questions

What is the IUPAC name of N-[diethoxyphosphoryl(diphenyl)methyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[diethoxyphosphoryl(diphenyl)methyl]-4-methylbenzenesulfonamide (CID 15852324) is N-[diethoxyphosphoryl(diphenyl)methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[diethoxyphosphoryl(diphenyl)methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[diethoxyphosphoryl(diphenyl)methyl]-4-methylbenzenesulfonamide is CCOP(=O)(OCC)C(NS(=O)(=O)c1ccc(C)cc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[diethoxyphosphoryl(diphenyl)methyl]-4-methylbenzenesulfonamide?
The InChIKey is QGNPSMHIPZLSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28NO5PS/c1-4-29-31(26,30-5-2)24(21-12-8-6-9-13-21,22-14-10-7-11-15-22)25-32(27,28)23-18-16-20(3)17-19-23/h6-19,25H,4-5H2,1-3H3.
What are the key properties of N-[diethoxyphosphoryl(diphenyl)methyl]-4-methylbenzenesulfonamide?
N-[diethoxyphosphoryl(diphenyl)methyl]-4-methylbenzenesulfonamide has a molecular weight of 473.53 g/mol, XLogP of 5.44, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[diethoxyphosphoryl(diphenyl)methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 15852324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).