1-diphenylphosphanylethanesulfonamide

C14H16NO2PS — CID 174898207

IUPAC1-diphenylphosphanylethanesulfonamide
SMILESCC(P(c1ccccc1)c1ccccc1)S(N)(=O)=O
InChIInChI=1S/C14H16NO2PS/c1-12(19(15,16)17)18(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12H,1H3,(H2,15,16,17)
InChIKeyZHHZAAIRUZOJAB-UHFFFAOYSA-N
MW293.33 g/mol
LogP1.75
Rot. Bonds4

About 1-diphenylphosphanylethanesulfonamide

1-diphenylphosphanylethanesulfonamide (PubChem CID 174898207) has the molecular formula C14H16NO2PS and a molecular weight of 293.33 g/mol. Its IUPAC name is 1-diphenylphosphanylethanesulfonamide.

Molecular Properties

Compound Name1-diphenylphosphanylethanesulfonamide
PubChem CID174898207
Molecular FormulaC14H16NO2PS
Molecular Weight293.33 g/mol
Exact Mass293.06
IUPAC Name1-diphenylphosphanylethanesulfonamide
SMILESCC(P(c1ccccc1)c1ccccc1)S(N)(=O)=O
InChIInChI=1S/C14H16NO2PS/c1-12(19(15,16)17)18(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12H,1H3,(H2,15,16,17)
InChIKeyZHHZAAIRUZOJAB-UHFFFAOYSA-N
XLogP1.75
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-diphenylphosphanylethanesulfonic acid
CID 19437390
[(2R,3R)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane
CID 2724948
2-diphenylphosphanylpropanoic acid
CID 14902743
benzenesulfonamide;2-methylpropane
CID 157350693
[3-(1-diphenylphosphanylethyl)-3,4-dimethylpentan-2-yl]-diphenylphosphane
CID 22672805
(4-diphenylphosphanyl-2-methylpentan-2-yl)-diphenylphosphane
CID 134285768
dichlorocobalt;[(2S,3S)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane
CID 11364946
dichloronickel;[(2R)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane
CID 88642037
disodium;3-[phenyl-[3-[phenyl-(3-sulfonatophenyl)phosphanyl]butan-2-yl]phosphanyl]benzenesulfonate
CID 14647533
lithium 4-diphenylphosphanylpentan-2-yl sulfate
CID 74085086
bis([(2S,4S)-4-diphenylphosphanylpentan-2-yl]-diphenylphosphane);bis(iridium);tetraiodide
CID 11446268
(5-diphenylphosphanyl-3,4-diphenylhexan-2-yl)-diphenylphosphane
CID 23403284

Frequently Asked Questions

What is the IUPAC name of 1-diphenylphosphanylethanesulfonamide?
The IUPAC name of 1-diphenylphosphanylethanesulfonamide (CID 174898207) is 1-diphenylphosphanylethanesulfonamide.
What is the SMILES notation for 1-diphenylphosphanylethanesulfonamide?
The canonical SMILES for 1-diphenylphosphanylethanesulfonamide is CC(P(c1ccccc1)c1ccccc1)S(N)(=O)=O.
What is the InChIKey of 1-diphenylphosphanylethanesulfonamide?
The InChIKey is ZHHZAAIRUZOJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16NO2PS/c1-12(19(15,16)17)18(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12H,1H3,(H2,15,16,17).
What are the key properties of 1-diphenylphosphanylethanesulfonamide?
1-diphenylphosphanylethanesulfonamide has a molecular weight of 293.33 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diphenylphosphanylethanesulfonamide is sourced from PubChem (CID 174898207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).