3-(9-propylfluoren-9-yl)sulfonylpropanoic acid

C19H20O4S — CID 18409429

IUPAC3-(9-propylfluoren-9-yl)sulfonylpropanoic acid
SMILESCCCC1(S(=O)(=O)CCC(=O)O)c2ccccc2-c2ccccc21
InChIInChI=1S/C19H20O4S/c1-2-12-19(24(22,23)13-11-18(20)21)16-9-5-3-7-14(16)15-8-4-6-10-17(15)19/h3-10H,2,11-13H2,1H3,(H,20,21)
InChIKeyDZEZYZAAROBVFJ-UHFFFAOYSA-N
MW344.43 g/mol
LogP3.60
Rot. Bonds6

About 3-(9-propylfluoren-9-yl)sulfonylpropanoic acid

3-(9-propylfluoren-9-yl)sulfonylpropanoic acid (PubChem CID 18409429) has the molecular formula C19H20O4S and a molecular weight of 344.43 g/mol. Its IUPAC name is 3-(9-propylfluoren-9-yl)sulfonylpropanoic acid.

Molecular Properties

Compound Name3-(9-propylfluoren-9-yl)sulfonylpropanoic acid
PubChem CID18409429
Molecular FormulaC19H20O4S
Molecular Weight344.43 g/mol
Exact Mass344.11
IUPAC Name3-(9-propylfluoren-9-yl)sulfonylpropanoic acid
SMILESCCCC1(S(=O)(=O)CCC(=O)O)c2ccccc2-c2ccccc21
InChIInChI=1S/C19H20O4S/c1-2-12-19(24(22,23)13-11-18(20)21)16-9-5-3-7-14(16)15-8-4-6-10-17(15)19/h3-10H,2,11-13H2,1H3,(H,20,21)
InChIKeyDZEZYZAAROBVFJ-UHFFFAOYSA-N
XLogP3.60
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(9-propylfluoren-9-yl)sulfonylpropanoic acid?
The IUPAC name of 3-(9-propylfluoren-9-yl)sulfonylpropanoic acid (CID 18409429) is 3-(9-propylfluoren-9-yl)sulfonylpropanoic acid.
What is the SMILES notation for 3-(9-propylfluoren-9-yl)sulfonylpropanoic acid?
The canonical SMILES for 3-(9-propylfluoren-9-yl)sulfonylpropanoic acid is CCCC1(S(=O)(=O)CCC(=O)O)c2ccccc2-c2ccccc21.
What is the InChIKey of 3-(9-propylfluoren-9-yl)sulfonylpropanoic acid?
The InChIKey is DZEZYZAAROBVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O4S/c1-2-12-19(24(22,23)13-11-18(20)21)16-9-5-3-7-14(16)15-8-4-6-10-17(15)19/h3-10H,2,11-13H2,1H3,(H,20,21).
What are the key properties of 3-(9-propylfluoren-9-yl)sulfonylpropanoic acid?
3-(9-propylfluoren-9-yl)sulfonylpropanoic acid has a molecular weight of 344.43 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-propylfluoren-9-yl)sulfonylpropanoic acid is sourced from PubChem (CID 18409429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).