5-chloro-1-[(5-fluoro-1-benzothiophen-3-yl)methyl]indole-2-carboxylic acid

C18H11ClFNO2S — CID 58900260

IUPAC5-chloro-1-[(5-fluoro-1-benzothiophen-3-yl)methyl]indole-2-carboxylic acid
SMILESO=C(O)c1cc2cc(Cl)ccc2n1Cc1csc2ccc(F)cc12
InChIInChI=1S/C18H11ClFNO2S/c19-12-1-3-15-10(5-12)6-16(18(22)23)21(15)8-11-9-24-17-4-2-13(20)7-14(11)17/h1-7,9H,8H2,(H,22,23)
InChIKeyNQTVJPLHQVAMCY-UHFFFAOYSA-N
MW359.81 g/mol
LogP5.39
Rot. Bonds3

About 5-chloro-1-[(5-fluoro-1-benzothiophen-3-yl)methyl]indole-2-carboxylic acid

5-chloro-1-[(5-fluoro-1-benzothiophen-3-yl)methyl]indole-2-carboxylic acid (PubChem CID 58900260) has the molecular formula C18H11ClFNO2S and a molecular weight of 359.81 g/mol. Its IUPAC name is 5-chloro-1-[(5-fluoro-1-benzothiophen-3-yl)methyl]indole-2-carboxylic acid.

Molecular Properties

Compound Name5-chloro-1-[(5-fluoro-1-benzothiophen-3-yl)methyl]indole-2-carboxylic acid
PubChem CID58900260
Molecular FormulaC18H11ClFNO2S
Molecular Weight359.81 g/mol
Exact Mass359.02
IUPAC Name5-chloro-1-[(5-fluoro-1-benzothiophen-3-yl)methyl]indole-2-carboxylic acid
SMILESO=C(O)c1cc2cc(Cl)ccc2n1Cc1csc2ccc(F)cc12
InChIInChI=1S/C18H11ClFNO2S/c19-12-1-3-15-10(5-12)6-16(18(22)23)21(15)8-11-9-24-17-4-2-13(20)7-14(11)17/h1-7,9H,8H2,(H,22,23)
InChIKeyNQTVJPLHQVAMCY-UHFFFAOYSA-N
XLogP5.39
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.81
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-chloro-1-[(5-fluoro-1-benzothiophen-3-yl)methyl]indole-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(5-fluoro-1-benzothiophen-3-yl)methyl]indole-2-carboxylic acid?
The IUPAC name of 5-chloro-1-[(5-fluoro-1-benzothiophen-3-yl)methyl]indole-2-carboxylic acid (CID 58900260) is 5-chloro-1-[(5-fluoro-1-benzothiophen-3-yl)methyl]indole-2-carboxylic acid.
What is the SMILES notation for 5-chloro-1-[(5-fluoro-1-benzothiophen-3-yl)methyl]indole-2-carboxylic acid?
The canonical SMILES for 5-chloro-1-[(5-fluoro-1-benzothiophen-3-yl)methyl]indole-2-carboxylic acid is O=C(O)c1cc2cc(Cl)ccc2n1Cc1csc2ccc(F)cc12.
What is the InChIKey of 5-chloro-1-[(5-fluoro-1-benzothiophen-3-yl)methyl]indole-2-carboxylic acid?
The InChIKey is NQTVJPLHQVAMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClFNO2S/c19-12-1-3-15-10(5-12)6-16(18(22)23)21(15)8-11-9-24-17-4-2-13(20)7-14(11)17/h1-7,9H,8H2,(H,22,23).
What are the key properties of 5-chloro-1-[(5-fluoro-1-benzothiophen-3-yl)methyl]indole-2-carboxylic acid?
5-chloro-1-[(5-fluoro-1-benzothiophen-3-yl)methyl]indole-2-carboxylic acid has a molecular weight of 359.81 g/mol, XLogP of 5.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(5-fluoro-1-benzothiophen-3-yl)methyl]indole-2-carboxylic acid is sourced from PubChem (CID 58900260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).