(5-tetradecylfuran-2-yl)methanesulfonic acid

C19H34O4S — CID 155313093

IUPAC(5-tetradecylfuran-2-yl)methanesulfonic acid
SMILESCCCCCCCCCCCCCCc1ccc(CS(=O)(=O)O)o1
InChIInChI=1S/C19H34O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-15-16-19(23-18)17-24(20,21)22/h15-16H,2-14,17H2,1H3,(H,20,21,22)
InChIKeyRGCAHTHMCYASCN-UHFFFAOYSA-N
MW358.54 g/mol
LogP5.91
Rot. Bonds15

About (5-tetradecylfuran-2-yl)methanesulfonic acid

(5-tetradecylfuran-2-yl)methanesulfonic acid (PubChem CID 155313093) has the molecular formula C19H34O4S and a molecular weight of 358.54 g/mol. Its IUPAC name is (5-tetradecylfuran-2-yl)methanesulfonic acid.

Molecular Properties

Compound Name(5-tetradecylfuran-2-yl)methanesulfonic acid
PubChem CID155313093
Molecular FormulaC19H34O4S
Molecular Weight358.54 g/mol
Exact Mass358.22
IUPAC Name(5-tetradecylfuran-2-yl)methanesulfonic acid
SMILESCCCCCCCCCCCCCCc1ccc(CS(=O)(=O)O)o1
InChIInChI=1S/C19H34O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-15-16-19(23-18)17-24(20,21)22/h15-16H,2-14,17H2,1H3,(H,20,21,22)
InChIKeyRGCAHTHMCYASCN-UHFFFAOYSA-N
XLogP5.91
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.54
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-heptylfuran-2-sulfonic acid
CID 129105151
2-(5-hexylfuran-2-yl)acetic acid
CID 10954815
acetic acid;8-(5-hexylfuran-2-yl)octan-1-ol
CID 71319263
5-pentadecylfuran-2-carboxylic acid
CID 177129672
5-hexylfuran-2-carboxylic acid
CID 86015959
bis(5-octadecylfuran-2-yl)iodanium
CID 139729189
(4-hexylphenyl)methanesulfonic acid
CID 87108805
6-undecylpyran-2-one
CID 14827366
2-hexyl-5-propan-2-ylfuran
CID 11615340
[5-[hydroxy(tetradecan-7-yloxy)methyl]furan-2-yl]methanesulfonic acid;[5-[hydroxy(tetradecoxy)methyl]furan-2-yl]methanesulfonic acid
CID 165041175
(2-oxo-6-pentylpyran-3-yl) hydrogen carbonate
CID 57216878
[5-(pentylsulfonylmethyl)furan-2-yl]methanamine
CID 107758648

Frequently Asked Questions

What is the IUPAC name of (5-tetradecylfuran-2-yl)methanesulfonic acid?
The IUPAC name of (5-tetradecylfuran-2-yl)methanesulfonic acid (CID 155313093) is (5-tetradecylfuran-2-yl)methanesulfonic acid.
What is the SMILES notation for (5-tetradecylfuran-2-yl)methanesulfonic acid?
The canonical SMILES for (5-tetradecylfuran-2-yl)methanesulfonic acid is CCCCCCCCCCCCCCc1ccc(CS(=O)(=O)O)o1.
What is the InChIKey of (5-tetradecylfuran-2-yl)methanesulfonic acid?
The InChIKey is RGCAHTHMCYASCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-15-16-19(23-18)17-24(20,21)22/h15-16H,2-14,17H2,1H3,(H,20,21,22).
What are the key properties of (5-tetradecylfuran-2-yl)methanesulfonic acid?
(5-tetradecylfuran-2-yl)methanesulfonic acid has a molecular weight of 358.54 g/mol, XLogP of 5.91, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tetradecylfuran-2-yl)methanesulfonic acid is sourced from PubChem (CID 155313093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).