formaldehyde;naphthalene-1-sulfonic acid;prop-2-enylbenzene

C20H20O4S — CID 174896906

IUPACformaldehyde;naphthalene-1-sulfonic acid;prop-2-enylbenzene
SMILESC=CCc1ccccc1.C=O.O=S(=O)(O)c1cccc2ccccc12
InChIInChI=1S/C10H8O3S.C9H10.CH2O/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10;1-2-6-9-7-4-3-5-8-9;1-2/h1-7H,(H,11,12,13);2-5,7-8H,1,6H2;1H2
InChIKeyJXVUIAXPYJJRHO-UHFFFAOYSA-N
MW356.44 g/mol
LogP4.32
Rot. Bonds3

About formaldehyde;naphthalene-1-sulfonic acid;prop-2-enylbenzene

formaldehyde;naphthalene-1-sulfonic acid;prop-2-enylbenzene (PubChem CID 174896906) has the molecular formula C20H20O4S and a molecular weight of 356.44 g/mol. Its IUPAC name is formaldehyde;naphthalene-1-sulfonic acid;prop-2-enylbenzene.

Molecular Properties

Compound Nameformaldehyde;naphthalene-1-sulfonic acid;prop-2-enylbenzene
PubChem CID174896906
Molecular FormulaC20H20O4S
Molecular Weight356.44 g/mol
Exact Mass356.11
IUPAC Nameformaldehyde;naphthalene-1-sulfonic acid;prop-2-enylbenzene
SMILESC=CCc1ccccc1.C=O.O=S(=O)(O)c1cccc2ccccc12
InChIInChI=1S/C10H8O3S.C9H10.CH2O/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10;1-2-6-9-7-4-3-5-8-9;1-2/h1-7H,(H,11,12,13);2-5,7-8H,1,6H2;1H2
InChIKeyJXVUIAXPYJJRHO-UHFFFAOYSA-N
XLogP4.32
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 87599032
CID 87599032
naphthalene-1-sulfonic acid
CID 158712346
CID 87877281
CID 87877281
aluminum naphthalene-1-sulfonic acid
CID 19753639
potassium;hydride;naphthalene-1-sulfonic acid
CID 173036389
lithium;hydride;naphthalene-1-sulfonic acid;hydrate
CID 173436914
bis(2-methylprop-1-ene);naphthalene-1-sulfonic acid
CID 87267180
disodium;hydride;naphthalene-1-sulfonic acid;sulfuric acid
CID 174856610
methanamine;naphthalene-1-sulfonic acid
CID 174421353
naphthalene-1-sulfonic acid;2H-triazole
CID 122441144
formaldehyde;phenanthrene-1-sulfonic acid
CID 159142763
naphthalene-1-sulfonic acid;phosphoric acid
CID 157288901

Frequently Asked Questions

What is the IUPAC name of formaldehyde;naphthalene-1-sulfonic acid;prop-2-enylbenzene?
The IUPAC name of formaldehyde;naphthalene-1-sulfonic acid;prop-2-enylbenzene (CID 174896906) is formaldehyde;naphthalene-1-sulfonic acid;prop-2-enylbenzene.
What is the SMILES notation for formaldehyde;naphthalene-1-sulfonic acid;prop-2-enylbenzene?
The canonical SMILES for formaldehyde;naphthalene-1-sulfonic acid;prop-2-enylbenzene is C=CCc1ccccc1.C=O.O=S(=O)(O)c1cccc2ccccc12.
What is the InChIKey of formaldehyde;naphthalene-1-sulfonic acid;prop-2-enylbenzene?
The InChIKey is JXVUIAXPYJJRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O3S.C9H10.CH2O/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10;1-2-6-9-7-4-3-5-8-9;1-2/h1-7H,(H,11,12,13);2-5,7-8H,1,6H2;1H2.
What are the key properties of formaldehyde;naphthalene-1-sulfonic acid;prop-2-enylbenzene?
formaldehyde;naphthalene-1-sulfonic acid;prop-2-enylbenzene has a molecular weight of 356.44 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;naphthalene-1-sulfonic acid;prop-2-enylbenzene is sourced from PubChem (CID 174896906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).