2-[5-fluoro-1-(3-fluorophenyl)sulfonyl-2-methylindol-3-yl]acetic acid

C17H13F2NO4S — CID 11494321

IUPAC2-[5-fluoro-1-(3-fluorophenyl)sulfonyl-2-methylindol-3-yl]acetic acid
SMILESCc1c(CC(=O)O)c2cc(F)ccc2n1S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C17H13F2NO4S/c1-10-14(9-17(21)22)15-8-12(19)5-6-16(15)20(10)25(23,24)13-4-2-3-11(18)7-13/h2-8H,9H2,1H3,(H,21,22)
InChIKeyLLWIYODDNOMUIA-UHFFFAOYSA-N
MW365.36 g/mol
LogP3.09
Rot. Bonds4

About 2-[5-fluoro-1-(3-fluorophenyl)sulfonyl-2-methylindol-3-yl]acetic acid

2-[5-fluoro-1-(3-fluorophenyl)sulfonyl-2-methylindol-3-yl]acetic acid (PubChem CID 11494321) has the molecular formula C17H13F2NO4S and a molecular weight of 365.36 g/mol. Its IUPAC name is 2-[5-fluoro-1-(3-fluorophenyl)sulfonyl-2-methylindol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[5-fluoro-1-(3-fluorophenyl)sulfonyl-2-methylindol-3-yl]acetic acid
PubChem CID11494321
Molecular FormulaC17H13F2NO4S
Molecular Weight365.36 g/mol
Exact Mass365.05
IUPAC Name2-[5-fluoro-1-(3-fluorophenyl)sulfonyl-2-methylindol-3-yl]acetic acid
SMILESCc1c(CC(=O)O)c2cc(F)ccc2n1S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C17H13F2NO4S/c1-10-14(9-17(21)22)15-8-12(19)5-6-16(15)20(10)25(23,24)13-4-2-3-11(18)7-13/h2-8H,9H2,1H3,(H,21,22)
InChIKeyLLWIYODDNOMUIA-UHFFFAOYSA-N
XLogP3.09
TPSA76.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-1-(3-fluorophenyl)sulfonyl-2-methylindol-3-yl]acetic acid?
The IUPAC name of 2-[5-fluoro-1-(3-fluorophenyl)sulfonyl-2-methylindol-3-yl]acetic acid (CID 11494321) is 2-[5-fluoro-1-(3-fluorophenyl)sulfonyl-2-methylindol-3-yl]acetic acid.
What is the SMILES notation for 2-[5-fluoro-1-(3-fluorophenyl)sulfonyl-2-methylindol-3-yl]acetic acid?
The canonical SMILES for 2-[5-fluoro-1-(3-fluorophenyl)sulfonyl-2-methylindol-3-yl]acetic acid is Cc1c(CC(=O)O)c2cc(F)ccc2n1S(=O)(=O)c1cccc(F)c1.
What is the InChIKey of 2-[5-fluoro-1-(3-fluorophenyl)sulfonyl-2-methylindol-3-yl]acetic acid?
The InChIKey is LLWIYODDNOMUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2NO4S/c1-10-14(9-17(21)22)15-8-12(19)5-6-16(15)20(10)25(23,24)13-4-2-3-11(18)7-13/h2-8H,9H2,1H3,(H,21,22).
What are the key properties of 2-[5-fluoro-1-(3-fluorophenyl)sulfonyl-2-methylindol-3-yl]acetic acid?
2-[5-fluoro-1-(3-fluorophenyl)sulfonyl-2-methylindol-3-yl]acetic acid has a molecular weight of 365.36 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-1-(3-fluorophenyl)sulfonyl-2-methylindol-3-yl]acetic acid is sourced from PubChem (CID 11494321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).