sodium;hydride;propyl 2-phenylethenesulfonate

C11H15NaO3S — CID 174467762

IUPACsodium;hydride;propyl 2-phenylethenesulfonate
SMILESCCCOS(=O)(=O)C=Cc1ccccc1.[H-].[Na+]
InChIInChI=1S/C11H14O3S.Na.H/c1-2-9-14-15(12,13)10-8-11-6-4-3-5-7-11;;/h3-8,10H,2,9H2,1H3;;/q;+1;-1
InChIKeyRYBWMEJTRQXNHZ-UHFFFAOYSA-N
MW250.30 g/mol
LogP-0.47
Rot. Bonds5

About sodium;hydride;propyl 2-phenylethenesulfonate

sodium;hydride;propyl 2-phenylethenesulfonate (PubChem CID 174467762) has the molecular formula C11H15NaO3S and a molecular weight of 250.30 g/mol. Its IUPAC name is sodium;hydride;propyl 2-phenylethenesulfonate.

Molecular Properties

Compound Namesodium;hydride;propyl 2-phenylethenesulfonate
PubChem CID174467762
Molecular FormulaC11H15NaO3S
Molecular Weight250.30 g/mol
Exact Mass250.06
IUPAC Namesodium;hydride;propyl 2-phenylethenesulfonate
SMILESCCCOS(=O)(=O)C=Cc1ccccc1.[H-].[Na+]
InChIInChI=1S/C11H14O3S.Na.H/c1-2-9-14-15(12,13)10-8-11-6-4-3-5-7-11;;/h3-8,10H,2,9H2,1H3;;/q;+1;-1
InChIKeyRYBWMEJTRQXNHZ-UHFFFAOYSA-N
XLogP-0.47
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 5-0.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-phenylethenesulfonate;toluene
CID 162188336
disodium;ethenylsulfonyl 2-phenylethenesulfonate;hydride
CID 175553273
lanthanum;phosphanyl 2-phenylethenesulfonate
CID 175140449
propyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 35522147
carboxy 2-phenylethenesulfonate
CID 174718044
(2-methylpropan-2-yl)oxycarbonyl 2-phenylethenesulfonate
CID 57257063
(E)-N-ethyl-2-phenylethenesulfonamide
CID 43212835
N-methoxy-N-methyl-2-phenylethenesulfonamide
CID 76873216
hydride;2-phenylethenesulfonic acid;rubidium(1+)
CID 173085855
(4-phenoxyphenyl) 2-phenylethenesulfonate
CID 4208606
ethenyl 2-phenylethenesulfonate;styrene
CID 174440573
calcium;hydride;propyl N-benzoylsulfamate
CID 174416476

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;propyl 2-phenylethenesulfonate?
The IUPAC name of sodium;hydride;propyl 2-phenylethenesulfonate (CID 174467762) is sodium;hydride;propyl 2-phenylethenesulfonate.
What is the SMILES notation for sodium;hydride;propyl 2-phenylethenesulfonate?
The canonical SMILES for sodium;hydride;propyl 2-phenylethenesulfonate is CCCOS(=O)(=O)C=Cc1ccccc1.[H-].[Na+].
What is the InChIKey of sodium;hydride;propyl 2-phenylethenesulfonate?
The InChIKey is RYBWMEJTRQXNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3S.Na.H/c1-2-9-14-15(12,13)10-8-11-6-4-3-5-7-11;;/h3-8,10H,2,9H2,1H3;;/q;+1;-1.
What are the key properties of sodium;hydride;propyl 2-phenylethenesulfonate?
sodium;hydride;propyl 2-phenylethenesulfonate has a molecular weight of 250.30 g/mol, XLogP of -0.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;propyl 2-phenylethenesulfonate is sourced from PubChem (CID 174467762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).