6-[(E)-2-fluorosulfonylethenyl]naphthalene-2-carboxylic acid

C13H9FO4S — CID 175311702

IUPAC6-[(E)-2-fluorosulfonylethenyl]naphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2cc(/C=C/S(=O)(=O)F)ccc2c1
InChIInChI=1S/C13H9FO4S/c14-19(17,18)6-5-9-1-2-11-8-12(13(15)16)4-3-10(11)7-9/h1-8H,(H,15,16)/b6-5+
InChIKeyDDWXNYXYQOVGOO-AATRIKPKSA-N
MW280.28 g/mol
LogP2.81
Rot. Bonds3

About 6-[(E)-2-fluorosulfonylethenyl]naphthalene-2-carboxylic acid

6-[(E)-2-fluorosulfonylethenyl]naphthalene-2-carboxylic acid (PubChem CID 175311702) has the molecular formula C13H9FO4S and a molecular weight of 280.28 g/mol. Its IUPAC name is 6-[(E)-2-fluorosulfonylethenyl]naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name6-[(E)-2-fluorosulfonylethenyl]naphthalene-2-carboxylic acid
PubChem CID175311702
Molecular FormulaC13H9FO4S
Molecular Weight280.28 g/mol
Exact Mass280.02
IUPAC Name6-[(E)-2-fluorosulfonylethenyl]naphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2cc(/C=C/S(=O)(=O)F)ccc2c1
InChIInChI=1S/C13H9FO4S/c14-19(17,18)6-5-9-1-2-11-8-12(13(15)16)4-3-10(11)7-9/h1-8H,(H,15,16)/b6-5+
InChIKeyDDWXNYXYQOVGOO-AATRIKPKSA-N
XLogP2.81
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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3-[(Z)-2-(4-carboxyphenyl)ethenyl]benzoic acid
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CID 175967775
naphthalene-2,7-dicarboxylic acid;hydrobromide
CID 175255726
ethyl 4-[(E)-2-fluorosulfonylethenyl]benzoate
CID 155548244
benzene-1,4-diamine;naphthalene-2,6-dicarboxylic acid
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CID 87430666

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-2-fluorosulfonylethenyl]naphthalene-2-carboxylic acid?
The IUPAC name of 6-[(E)-2-fluorosulfonylethenyl]naphthalene-2-carboxylic acid (CID 175311702) is 6-[(E)-2-fluorosulfonylethenyl]naphthalene-2-carboxylic acid.
What is the SMILES notation for 6-[(E)-2-fluorosulfonylethenyl]naphthalene-2-carboxylic acid?
The canonical SMILES for 6-[(E)-2-fluorosulfonylethenyl]naphthalene-2-carboxylic acid is O=C(O)c1ccc2cc(/C=C/S(=O)(=O)F)ccc2c1.
What is the InChIKey of 6-[(E)-2-fluorosulfonylethenyl]naphthalene-2-carboxylic acid?
The InChIKey is DDWXNYXYQOVGOO-AATRIKPKSA-N. The full InChI is InChI=1S/C13H9FO4S/c14-19(17,18)6-5-9-1-2-11-8-12(13(15)16)4-3-10(11)7-9/h1-8H,(H,15,16)/b6-5+.
What are the key properties of 6-[(E)-2-fluorosulfonylethenyl]naphthalene-2-carboxylic acid?
6-[(E)-2-fluorosulfonylethenyl]naphthalene-2-carboxylic acid has a molecular weight of 280.28 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-2-fluorosulfonylethenyl]naphthalene-2-carboxylic acid is sourced from PubChem (CID 175311702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).