2-[3-(2,6-dichlorophenyl)sulfonyl-2,5-dimethylindol-1-yl]acetic acid

C18H15Cl2NO4S — CID 10047280

IUPAC2-[3-(2,6-dichlorophenyl)sulfonyl-2,5-dimethylindol-1-yl]acetic acid
SMILESCc1ccc2c(c1)c(S(=O)(=O)c1c(Cl)cccc1Cl)c(C)n2CC(=O)O
InChIInChI=1S/C18H15Cl2NO4S/c1-10-6-7-15-12(8-10)17(11(2)21(15)9-16(22)23)26(24,25)18-13(19)4-3-5-14(18)20/h3-8H,9H2,1-2H3,(H,22,23)
InChIKeyQNJFGASBHPJLDO-UHFFFAOYSA-N
MW412.29 g/mol
LogP4.48
Rot. Bonds4

About 2-[3-(2,6-dichlorophenyl)sulfonyl-2,5-dimethylindol-1-yl]acetic acid

2-[3-(2,6-dichlorophenyl)sulfonyl-2,5-dimethylindol-1-yl]acetic acid (PubChem CID 10047280) has the molecular formula C18H15Cl2NO4S and a molecular weight of 412.29 g/mol. Its IUPAC name is 2-[3-(2,6-dichlorophenyl)sulfonyl-2,5-dimethylindol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(2,6-dichlorophenyl)sulfonyl-2,5-dimethylindol-1-yl]acetic acid
PubChem CID10047280
Molecular FormulaC18H15Cl2NO4S
Molecular Weight412.29 g/mol
Exact Mass411.01
IUPAC Name2-[3-(2,6-dichlorophenyl)sulfonyl-2,5-dimethylindol-1-yl]acetic acid
SMILESCc1ccc2c(c1)c(S(=O)(=O)c1c(Cl)cccc1Cl)c(C)n2CC(=O)O
InChIInChI=1S/C18H15Cl2NO4S/c1-10-6-7-15-12(8-10)17(11(2)21(15)9-16(22)23)26(24,25)18-13(19)4-3-5-14(18)20/h3-8H,9H2,1-2H3,(H,22,23)
InChIKeyQNJFGASBHPJLDO-UHFFFAOYSA-N
XLogP4.48
TPSA76.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.29
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-(2,6-dichlorophenyl)sulfonyl-2,5-dimethylindol-1-yl]acetic 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 2-[3-(2,6-dichlorophenyl)sulfonyl-2,5-dimethylindol-1-yl]acetic acid?
The IUPAC name of 2-[3-(2,6-dichlorophenyl)sulfonyl-2,5-dimethylindol-1-yl]acetic acid (CID 10047280) is 2-[3-(2,6-dichlorophenyl)sulfonyl-2,5-dimethylindol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(2,6-dichlorophenyl)sulfonyl-2,5-dimethylindol-1-yl]acetic acid?
The canonical SMILES for 2-[3-(2,6-dichlorophenyl)sulfonyl-2,5-dimethylindol-1-yl]acetic acid is Cc1ccc2c(c1)c(S(=O)(=O)c1c(Cl)cccc1Cl)c(C)n2CC(=O)O.
What is the InChIKey of 2-[3-(2,6-dichlorophenyl)sulfonyl-2,5-dimethylindol-1-yl]acetic acid?
The InChIKey is QNJFGASBHPJLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2NO4S/c1-10-6-7-15-12(8-10)17(11(2)21(15)9-16(22)23)26(24,25)18-13(19)4-3-5-14(18)20/h3-8H,9H2,1-2H3,(H,22,23).
What are the key properties of 2-[3-(2,6-dichlorophenyl)sulfonyl-2,5-dimethylindol-1-yl]acetic acid?
2-[3-(2,6-dichlorophenyl)sulfonyl-2,5-dimethylindol-1-yl]acetic acid has a molecular weight of 412.29 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,6-dichlorophenyl)sulfonyl-2,5-dimethylindol-1-yl]acetic acid is sourced from PubChem (CID 10047280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).