2-[1-(5-chlorothiophene-3-carbonyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]acetic acid

C16H11ClFNO4S — CID 18453633

IUPAC2-[1-(5-chlorothiophene-3-carbonyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]acetic acid
SMILESCc1c(CC(=O)O)c2cc(O)c(F)cc2n1C(=O)c1csc(Cl)c1
InChIInChI=1S/C16H11ClFNO4S/c1-7-9(4-15(21)22)10-3-13(20)11(18)5-12(10)19(7)16(23)8-2-14(17)24-6-8/h2-3,5-6,20H,4H2,1H3,(H,21,22)
InChIKeyVIFJHYRBTWJFJX-UHFFFAOYSA-N
MW367.79 g/mol
LogP3.82
Rot. Bonds3

About 2-[1-(5-chlorothiophene-3-carbonyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]acetic acid

2-[1-(5-chlorothiophene-3-carbonyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]acetic acid (PubChem CID 18453633) has the molecular formula C16H11ClFNO4S and a molecular weight of 367.79 g/mol. Its IUPAC name is 2-[1-(5-chlorothiophene-3-carbonyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(5-chlorothiophene-3-carbonyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]acetic acid
PubChem CID18453633
Molecular FormulaC16H11ClFNO4S
Molecular Weight367.79 g/mol
Exact Mass367.01
IUPAC Name2-[1-(5-chlorothiophene-3-carbonyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]acetic acid
SMILESCc1c(CC(=O)O)c2cc(O)c(F)cc2n1C(=O)c1csc(Cl)c1
InChIInChI=1S/C16H11ClFNO4S/c1-7-9(4-15(21)22)10-3-13(20)11(18)5-12(10)19(7)16(23)8-2-14(17)24-6-8/h2-3,5-6,20H,4H2,1H3,(H,21,22)
InChIKeyVIFJHYRBTWJFJX-UHFFFAOYSA-N
XLogP3.82
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.79
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-chlorothiophene-3-carbonyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]acetic acid?
The IUPAC name of 2-[1-(5-chlorothiophene-3-carbonyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]acetic acid (CID 18453633) is 2-[1-(5-chlorothiophene-3-carbonyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(5-chlorothiophene-3-carbonyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]acetic acid?
The canonical SMILES for 2-[1-(5-chlorothiophene-3-carbonyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]acetic acid is Cc1c(CC(=O)O)c2cc(O)c(F)cc2n1C(=O)c1csc(Cl)c1.
What is the InChIKey of 2-[1-(5-chlorothiophene-3-carbonyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]acetic acid?
The InChIKey is VIFJHYRBTWJFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFNO4S/c1-7-9(4-15(21)22)10-3-13(20)11(18)5-12(10)19(7)16(23)8-2-14(17)24-6-8/h2-3,5-6,20H,4H2,1H3,(H,21,22).
What are the key properties of 2-[1-(5-chlorothiophene-3-carbonyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]acetic acid?
2-[1-(5-chlorothiophene-3-carbonyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]acetic acid has a molecular weight of 367.79 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-chlorothiophene-3-carbonyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]acetic acid is sourced from PubChem (CID 18453633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).