1-diphenylphosphanylethanesulfonic acid

C14H15O3PS — CID 19437390

IUPAC1-diphenylphosphanylethanesulfonic acid
SMILESCC(P(c1ccccc1)c1ccccc1)S(=O)(=O)O
InChIInChI=1S/C14H15O3PS/c1-12(19(15,16)17)18(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12H,1H3,(H,15,16,17)
InChIKeyQPRLPVUGIFTPJR-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.35
Rot. Bonds4

About 1-diphenylphosphanylethanesulfonic acid

1-diphenylphosphanylethanesulfonic acid (PubChem CID 19437390) has the molecular formula C14H15O3PS and a molecular weight of 294.31 g/mol. Its IUPAC name is 1-diphenylphosphanylethanesulfonic acid.

Molecular Properties

Compound Name1-diphenylphosphanylethanesulfonic acid
PubChem CID19437390
Molecular FormulaC14H15O3PS
Molecular Weight294.31 g/mol
Exact Mass294.05
IUPAC Name1-diphenylphosphanylethanesulfonic acid
SMILESCC(P(c1ccccc1)c1ccccc1)S(=O)(=O)O
InChIInChI=1S/C14H15O3PS/c1-12(19(15,16)17)18(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12H,1H3,(H,15,16,17)
InChIKeyQPRLPVUGIFTPJR-UHFFFAOYSA-N
XLogP2.35
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

1-diphenylphosphanylethanesulfonamide
CID 174898207
2-diphenylphosphanylpropanoic acid
CID 14902743
[(2R,3R)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane
CID 2724948
1-phenylethanesulfonic acid
CID 10997746
(1R,2R)-2-amino-1-phenylpropane-1-sulfonic acid
CID 50914072
(1R,2S)-2-amino-1-phenylpropane-1-sulfonic acid
CID 96955814
1-phenylethanesulfonic acid;hydrochloride
CID 174640646
[(2S,3S)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane;perchloric acid
CID 157197729
dichlorocobalt;[(2S,3S)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane
CID 11364946
2,2-bis(diphenylphosphanyl)ethanedithioate
CID 102010379
dichloronickel;[(2R)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane
CID 88642037
3-[3-bis(3-sulfophenyl)phosphanylbutan-2-yl-(3-sulfophenyl)phosphanyl]benzenesulfonic acid
CID 14387963

Frequently Asked Questions

What is the IUPAC name of 1-diphenylphosphanylethanesulfonic acid?
The IUPAC name of 1-diphenylphosphanylethanesulfonic acid (CID 19437390) is 1-diphenylphosphanylethanesulfonic acid.
What is the SMILES notation for 1-diphenylphosphanylethanesulfonic acid?
The canonical SMILES for 1-diphenylphosphanylethanesulfonic acid is CC(P(c1ccccc1)c1ccccc1)S(=O)(=O)O.
What is the InChIKey of 1-diphenylphosphanylethanesulfonic acid?
The InChIKey is QPRLPVUGIFTPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15O3PS/c1-12(19(15,16)17)18(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12H,1H3,(H,15,16,17).
What are the key properties of 1-diphenylphosphanylethanesulfonic acid?
1-diphenylphosphanylethanesulfonic acid has a molecular weight of 294.31 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diphenylphosphanylethanesulfonic acid is sourced from PubChem (CID 19437390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).