2-[5-fluoro-2-methyl-1-(5-pyridin-2-ylthiophen-2-yl)sulfonylindol-3-yl]acetic acid

C20H15FN2O4S2 — CID 11464579

IUPAC2-[5-fluoro-2-methyl-1-(5-pyridin-2-ylthiophen-2-yl)sulfonylindol-3-yl]acetic acid
SMILESCc1c(CC(=O)O)c2cc(F)ccc2n1S(=O)(=O)c1ccc(-c2ccccn2)s1
InChIInChI=1S/C20H15FN2O4S2/c1-12-14(11-19(24)25)15-10-13(21)5-6-17(15)23(12)29(26,27)20-8-7-18(28-20)16-4-2-3-9-22-16/h2-10H,11H2,1H3,(H,24,25)
InChIKeyGCDXKCMCWXRAIN-UHFFFAOYSA-N
MW430.48 g/mol
LogP4.08
Rot. Bonds5

About 2-[5-fluoro-2-methyl-1-(5-pyridin-2-ylthiophen-2-yl)sulfonylindol-3-yl]acetic acid

2-[5-fluoro-2-methyl-1-(5-pyridin-2-ylthiophen-2-yl)sulfonylindol-3-yl]acetic acid (PubChem CID 11464579) has the molecular formula C20H15FN2O4S2 and a molecular weight of 430.48 g/mol. Its IUPAC name is 2-[5-fluoro-2-methyl-1-(5-pyridin-2-ylthiophen-2-yl)sulfonylindol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[5-fluoro-2-methyl-1-(5-pyridin-2-ylthiophen-2-yl)sulfonylindol-3-yl]acetic acid
PubChem CID11464579
Molecular FormulaC20H15FN2O4S2
Molecular Weight430.48 g/mol
Exact Mass430.05
IUPAC Name2-[5-fluoro-2-methyl-1-(5-pyridin-2-ylthiophen-2-yl)sulfonylindol-3-yl]acetic acid
SMILESCc1c(CC(=O)O)c2cc(F)ccc2n1S(=O)(=O)c1ccc(-c2ccccn2)s1
InChIInChI=1S/C20H15FN2O4S2/c1-12-14(11-19(24)25)15-10-13(21)5-6-17(15)23(12)29(26,27)20-8-7-18(28-20)16-4-2-3-9-22-16/h2-10H,11H2,1H3,(H,24,25)
InChIKeyGCDXKCMCWXRAIN-UHFFFAOYSA-N
XLogP4.08
TPSA89.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2-methyl-1-(5-pyridin-2-ylthiophen-2-yl)sulfonylindol-3-yl]acetic acid?
The IUPAC name of 2-[5-fluoro-2-methyl-1-(5-pyridin-2-ylthiophen-2-yl)sulfonylindol-3-yl]acetic acid (CID 11464579) is 2-[5-fluoro-2-methyl-1-(5-pyridin-2-ylthiophen-2-yl)sulfonylindol-3-yl]acetic acid.
What is the SMILES notation for 2-[5-fluoro-2-methyl-1-(5-pyridin-2-ylthiophen-2-yl)sulfonylindol-3-yl]acetic acid?
The canonical SMILES for 2-[5-fluoro-2-methyl-1-(5-pyridin-2-ylthiophen-2-yl)sulfonylindol-3-yl]acetic acid is Cc1c(CC(=O)O)c2cc(F)ccc2n1S(=O)(=O)c1ccc(-c2ccccn2)s1.
What is the InChIKey of 2-[5-fluoro-2-methyl-1-(5-pyridin-2-ylthiophen-2-yl)sulfonylindol-3-yl]acetic acid?
The InChIKey is GCDXKCMCWXRAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O4S2/c1-12-14(11-19(24)25)15-10-13(21)5-6-17(15)23(12)29(26,27)20-8-7-18(28-20)16-4-2-3-9-22-16/h2-10H,11H2,1H3,(H,24,25).
What are the key properties of 2-[5-fluoro-2-methyl-1-(5-pyridin-2-ylthiophen-2-yl)sulfonylindol-3-yl]acetic acid?
2-[5-fluoro-2-methyl-1-(5-pyridin-2-ylthiophen-2-yl)sulfonylindol-3-yl]acetic acid has a molecular weight of 430.48 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-2-methyl-1-(5-pyridin-2-ylthiophen-2-yl)sulfonylindol-3-yl]acetic acid is sourced from PubChem (CID 11464579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).