1-(benzenesulfonyl)-7-chloro-5-fluoro-4-methylindole-3-carboxylic acid

C16H11ClFNO4S — CID 59596745

IUPAC1-(benzenesulfonyl)-7-chloro-5-fluoro-4-methylindole-3-carboxylic acid
SMILESCc1c(F)cc(Cl)c2c1c(C(=O)O)cn2S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H11ClFNO4S/c1-9-13(18)7-12(17)15-14(9)11(16(20)21)8-19(15)24(22,23)10-5-3-2-4-6-10/h2-8H,1H3,(H,20,21)
InChIKeyOMACYKOARVVKCQ-UHFFFAOYSA-N
MW367.79 g/mol
LogP3.68
Rot. Bonds3

About 1-(benzenesulfonyl)-7-chloro-5-fluoro-4-methylindole-3-carboxylic acid

1-(benzenesulfonyl)-7-chloro-5-fluoro-4-methylindole-3-carboxylic acid (PubChem CID 59596745) has the molecular formula C16H11ClFNO4S and a molecular weight of 367.79 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-7-chloro-5-fluoro-4-methylindole-3-carboxylic acid.

Molecular Properties

Compound Name1-(benzenesulfonyl)-7-chloro-5-fluoro-4-methylindole-3-carboxylic acid
PubChem CID59596745
Molecular FormulaC16H11ClFNO4S
Molecular Weight367.79 g/mol
Exact Mass367.01
IUPAC Name1-(benzenesulfonyl)-7-chloro-5-fluoro-4-methylindole-3-carboxylic acid
SMILESCc1c(F)cc(Cl)c2c1c(C(=O)O)cn2S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H11ClFNO4S/c1-9-13(18)7-12(17)15-14(9)11(16(20)21)8-19(15)24(22,23)10-5-3-2-4-6-10/h2-8H,1H3,(H,20,21)
InChIKeyOMACYKOARVVKCQ-UHFFFAOYSA-N
XLogP3.68
TPSA76.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.79
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(benzenesulfonyl)-7-chloro-5-fluoro-4-methylindole-3-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 1-(benzenesulfonyl)-7-chloro-5-fluoro-4-methylindole-3-carboxylic acid?
The IUPAC name of 1-(benzenesulfonyl)-7-chloro-5-fluoro-4-methylindole-3-carboxylic acid (CID 59596745) is 1-(benzenesulfonyl)-7-chloro-5-fluoro-4-methylindole-3-carboxylic acid.
What is the SMILES notation for 1-(benzenesulfonyl)-7-chloro-5-fluoro-4-methylindole-3-carboxylic acid?
The canonical SMILES for 1-(benzenesulfonyl)-7-chloro-5-fluoro-4-methylindole-3-carboxylic acid is Cc1c(F)cc(Cl)c2c1c(C(=O)O)cn2S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-7-chloro-5-fluoro-4-methylindole-3-carboxylic acid?
The InChIKey is OMACYKOARVVKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFNO4S/c1-9-13(18)7-12(17)15-14(9)11(16(20)21)8-19(15)24(22,23)10-5-3-2-4-6-10/h2-8H,1H3,(H,20,21).
What are the key properties of 1-(benzenesulfonyl)-7-chloro-5-fluoro-4-methylindole-3-carboxylic acid?
1-(benzenesulfonyl)-7-chloro-5-fluoro-4-methylindole-3-carboxylic acid has a molecular weight of 367.79 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-7-chloro-5-fluoro-4-methylindole-3-carboxylic acid is sourced from PubChem (CID 59596745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).