4-(4-ethenylphenyl)sulfonyloxynaphthalene-1-sulfonic acid

C18H14O6S2 — CID 176866025

IUPAC4-(4-ethenylphenyl)sulfonyloxynaphthalene-1-sulfonic acid
SMILESC=Cc1ccc(S(=O)(=O)Oc2ccc(S(=O)(=O)O)c3ccccc23)cc1
InChIInChI=1S/C18H14O6S2/c1-2-13-7-9-14(10-8-13)26(22,23)24-17-11-12-18(25(19,20)21)16-6-4-3-5-15(16)17/h2-12H,1H2,(H,19,20,21)
InChIKeyMTIASUKANNGWGW-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.50
Rot. Bonds5

About 4-(4-ethenylphenyl)sulfonyloxynaphthalene-1-sulfonic acid

4-(4-ethenylphenyl)sulfonyloxynaphthalene-1-sulfonic acid (PubChem CID 176866025) has the molecular formula C18H14O6S2 and a molecular weight of 390.44 g/mol. Its IUPAC name is 4-(4-ethenylphenyl)sulfonyloxynaphthalene-1-sulfonic acid.

Molecular Properties

Compound Name4-(4-ethenylphenyl)sulfonyloxynaphthalene-1-sulfonic acid
PubChem CID176866025
Molecular FormulaC18H14O6S2
Molecular Weight390.44 g/mol
Exact Mass390.02
IUPAC Name4-(4-ethenylphenyl)sulfonyloxynaphthalene-1-sulfonic acid
SMILESC=Cc1ccc(S(=O)(=O)Oc2ccc(S(=O)(=O)O)c3ccccc23)cc1
InChIInChI=1S/C18H14O6S2/c1-2-13-7-9-14(10-8-13)26(22,23)24-17-11-12-18(25(19,20)21)16-6-4-3-5-15(16)17/h2-12H,1H2,(H,19,20,21)
InChIKeyMTIASUKANNGWGW-UHFFFAOYSA-N
XLogP3.50
TPSA97.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

4-(4-methylphenyl)sulfonyloxynaphthalene-1-sulfonic acid
CID 22352898
sodium;hydride;phenyl 4-ethenylbenzenesulfonate
CID 174943153
2-[2-(4-ethenylphenyl)sulfonyloxybenzoyl]oxy-1,1-difluoroethanesulfonate
CID 176845935
4-ethenylbenzenesulfonic acid;methanol
CID 172742090
4-(4-sulfonaphthalen-1-yl)naphthalene-1-sulfonic acid
CID 15258357
ethenylsulfonyl 4-ethenylbenzenesulfonate
CID 57074743
1,5-Naphthalene disulfonic acid,sodium salt
CID 87069218
(2,4,6-trichlorophenyl) 4-ethenylbenzenesulfonate
CID 22886382
sodium;4-ethoxynaphthalene-1-sulfonic acid;hydride
CID 173109617
4-(benzenesulfonyloxy)naphthalene-1-sulfonate;tris(4-tert-butylphenyl)sulfanium
CID 23435173
2-hydroxybenzenesulfonic acid;styrene
CID 175395013
2-(benzenesulfonyloxy)-3,4-dibromobenzenesulfonic acid
CID 91153241

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethenylphenyl)sulfonyloxynaphthalene-1-sulfonic acid?
The IUPAC name of 4-(4-ethenylphenyl)sulfonyloxynaphthalene-1-sulfonic acid (CID 176866025) is 4-(4-ethenylphenyl)sulfonyloxynaphthalene-1-sulfonic acid.
What is the SMILES notation for 4-(4-ethenylphenyl)sulfonyloxynaphthalene-1-sulfonic acid?
The canonical SMILES for 4-(4-ethenylphenyl)sulfonyloxynaphthalene-1-sulfonic acid is C=Cc1ccc(S(=O)(=O)Oc2ccc(S(=O)(=O)O)c3ccccc23)cc1.
What is the InChIKey of 4-(4-ethenylphenyl)sulfonyloxynaphthalene-1-sulfonic acid?
The InChIKey is MTIASUKANNGWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O6S2/c1-2-13-7-9-14(10-8-13)26(22,23)24-17-11-12-18(25(19,20)21)16-6-4-3-5-15(16)17/h2-12H,1H2,(H,19,20,21).
What are the key properties of 4-(4-ethenylphenyl)sulfonyloxynaphthalene-1-sulfonic acid?
4-(4-ethenylphenyl)sulfonyloxynaphthalene-1-sulfonic acid has a molecular weight of 390.44 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethenylphenyl)sulfonyloxynaphthalene-1-sulfonic acid is sourced from PubChem (CID 176866025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).