3-[[diethoxyphosphoryl-(3-hydroxyphenyl)methyl]amino]-N-phenylbenzenesulfonamide

C23H27N2O6PS — CID 176509176

IUPAC3-[[diethoxyphosphoryl-(3-hydroxyphenyl)methyl]amino]-N-phenylbenzenesulfonamide
SMILESCCOP(=O)(OCC)C(Nc1cccc(S(=O)(=O)Nc2ccccc2)c1)c1cccc(O)c1
InChIInChI=1S/C23H27N2O6PS/c1-3-30-32(27,31-4-2)23(18-10-8-14-21(26)16-18)24-20-13-9-15-22(17-20)33(28,29)25-19-11-6-5-7-12-19/h5-17,23-26H,3-4H2,1-2H3
InChIKeyOKEZIWDPUSWXGO-UHFFFAOYSA-N
MW490.52 g/mol
LogP5.57
Rot. Bonds11

About 3-[[diethoxyphosphoryl-(3-hydroxyphenyl)methyl]amino]-N-phenylbenzenesulfonamide

3-[[diethoxyphosphoryl-(3-hydroxyphenyl)methyl]amino]-N-phenylbenzenesulfonamide (PubChem CID 176509176) has the molecular formula C23H27N2O6PS and a molecular weight of 490.52 g/mol. Its IUPAC name is 3-[[diethoxyphosphoryl-(3-hydroxyphenyl)methyl]amino]-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name3-[[diethoxyphosphoryl-(3-hydroxyphenyl)methyl]amino]-N-phenylbenzenesulfonamide
PubChem CID176509176
Molecular FormulaC23H27N2O6PS
Molecular Weight490.52 g/mol
Exact Mass490.13
IUPAC Name3-[[diethoxyphosphoryl-(3-hydroxyphenyl)methyl]amino]-N-phenylbenzenesulfonamide
SMILESCCOP(=O)(OCC)C(Nc1cccc(S(=O)(=O)Nc2ccccc2)c1)c1cccc(O)c1
InChIInChI=1S/C23H27N2O6PS/c1-3-30-32(27,31-4-2)23(18-10-8-14-21(26)16-18)24-20-13-9-15-22(17-20)33(28,29)25-19-11-6-5-7-12-19/h5-17,23-26H,3-4H2,1-2H3
InChIKeyOKEZIWDPUSWXGO-UHFFFAOYSA-N
XLogP5.57
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.52
LogP ≤ 55.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[[diethoxyphosphoryl-(3-hydroxyphenyl)methyl]amino]-N-pyrimidin-2-ylbenzenesulfonamide
CID 176509168
N-[dipropoxyphosphoryl(phenyl)methyl]aniline
CID 23413513
3-[1-(ethylamino)ethyl]-N-phenylbenzenesulfonamide
CID 43506659
N-[(R)-dibutoxyphosphoryl(phenyl)methyl]aniline
CID 7370793
ethyl 3-(phenylsulfamoyl)benzoate
CID 100552593
3-methylsulfonyl-N-phenylbenzenesulfonamide
CID 6461889
N-[diethoxyphosphoryl-(3-fluorophenyl)methyl]-2-fluoroaniline
CID 16744084
3-ethyl-N-[3-(1-hydroxy-2-methoxyethyl)phenyl]benzenesulfonamide
CID 126815984
3-(benzenesulfonamido)-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]benzamide
CID 18928950
N-[3-(1-hydroxypropyl)phenyl]benzenesulfonamide
CID 174636480
N-[dipentoxyphosphoryl(phenyl)methyl]aniline
CID 100986575
3-amino-4-ethyl-N-(3-hydroxyphenyl)benzenesulfonamide
CID 61166904

Frequently Asked Questions

What is the IUPAC name of 3-[[diethoxyphosphoryl-(3-hydroxyphenyl)methyl]amino]-N-phenylbenzenesulfonamide?
The IUPAC name of 3-[[diethoxyphosphoryl-(3-hydroxyphenyl)methyl]amino]-N-phenylbenzenesulfonamide (CID 176509176) is 3-[[diethoxyphosphoryl-(3-hydroxyphenyl)methyl]amino]-N-phenylbenzenesulfonamide.
What is the SMILES notation for 3-[[diethoxyphosphoryl-(3-hydroxyphenyl)methyl]amino]-N-phenylbenzenesulfonamide?
The canonical SMILES for 3-[[diethoxyphosphoryl-(3-hydroxyphenyl)methyl]amino]-N-phenylbenzenesulfonamide is CCOP(=O)(OCC)C(Nc1cccc(S(=O)(=O)Nc2ccccc2)c1)c1cccc(O)c1.
What is the InChIKey of 3-[[diethoxyphosphoryl-(3-hydroxyphenyl)methyl]amino]-N-phenylbenzenesulfonamide?
The InChIKey is OKEZIWDPUSWXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N2O6PS/c1-3-30-32(27,31-4-2)23(18-10-8-14-21(26)16-18)24-20-13-9-15-22(17-20)33(28,29)25-19-11-6-5-7-12-19/h5-17,23-26H,3-4H2,1-2H3.
What are the key properties of 3-[[diethoxyphosphoryl-(3-hydroxyphenyl)methyl]amino]-N-phenylbenzenesulfonamide?
3-[[diethoxyphosphoryl-(3-hydroxyphenyl)methyl]amino]-N-phenylbenzenesulfonamide has a molecular weight of 490.52 g/mol, XLogP of 5.57, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[diethoxyphosphoryl-(3-hydroxyphenyl)methyl]amino]-N-phenylbenzenesulfonamide is sourced from PubChem (CID 176509176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).