6,7-dichloro-4-(2,2-difluoroethoxy)-1-(4-methylphenyl)sulfonylindole

C17H13Cl2F2NO3S — CID 170427426

IUPAC6,7-dichloro-4-(2,2-difluoroethoxy)-1-(4-methylphenyl)sulfonylindole
SMILESCc1ccc(S(=O)(=O)n2ccc3c(OCC(F)F)cc(Cl)c(Cl)c32)cc1
InChIInChI=1S/C17H13Cl2F2NO3S/c1-10-2-4-11(5-3-10)26(23,24)22-7-6-12-14(25-9-15(20)21)8-13(18)16(19)17(12)22/h2-8,15H,9H2,1H3
InChIKeyORMUGAIBEQJQKH-UHFFFAOYSA-N
MW420.26 g/mol
LogP5.14
Rot. Bonds5

About 6,7-dichloro-4-(2,2-difluoroethoxy)-1-(4-methylphenyl)sulfonylindole

6,7-dichloro-4-(2,2-difluoroethoxy)-1-(4-methylphenyl)sulfonylindole (PubChem CID 170427426) has the molecular formula C17H13Cl2F2NO3S and a molecular weight of 420.26 g/mol. Its IUPAC name is 6,7-dichloro-4-(2,2-difluoroethoxy)-1-(4-methylphenyl)sulfonylindole.

Molecular Properties

Compound Name6,7-dichloro-4-(2,2-difluoroethoxy)-1-(4-methylphenyl)sulfonylindole
PubChem CID170427426
Molecular FormulaC17H13Cl2F2NO3S
Molecular Weight420.26 g/mol
Exact Mass419.00
IUPAC Name6,7-dichloro-4-(2,2-difluoroethoxy)-1-(4-methylphenyl)sulfonylindole
SMILESCc1ccc(S(=O)(=O)n2ccc3c(OCC(F)F)cc(Cl)c(Cl)c32)cc1
InChIInChI=1S/C17H13Cl2F2NO3S/c1-10-2-4-11(5-3-10)26(23,24)22-7-6-12-14(25-9-15(20)21)8-13(18)16(19)17(12)22/h2-8,15H,9H2,1H3
InChIKeyORMUGAIBEQJQKH-UHFFFAOYSA-N
XLogP5.14
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.26
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6,7-dichloro-4-(2,2-difluoroethoxy)-1-(4-methylphenyl)sulfonylindole 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 6,7-dichloro-4-(2,2-difluoroethoxy)-1-(4-methylphenyl)sulfonylindole?
The IUPAC name of 6,7-dichloro-4-(2,2-difluoroethoxy)-1-(4-methylphenyl)sulfonylindole (CID 170427426) is 6,7-dichloro-4-(2,2-difluoroethoxy)-1-(4-methylphenyl)sulfonylindole.
What is the SMILES notation for 6,7-dichloro-4-(2,2-difluoroethoxy)-1-(4-methylphenyl)sulfonylindole?
The canonical SMILES for 6,7-dichloro-4-(2,2-difluoroethoxy)-1-(4-methylphenyl)sulfonylindole is Cc1ccc(S(=O)(=O)n2ccc3c(OCC(F)F)cc(Cl)c(Cl)c32)cc1.
What is the InChIKey of 6,7-dichloro-4-(2,2-difluoroethoxy)-1-(4-methylphenyl)sulfonylindole?
The InChIKey is ORMUGAIBEQJQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2F2NO3S/c1-10-2-4-11(5-3-10)26(23,24)22-7-6-12-14(25-9-15(20)21)8-13(18)16(19)17(12)22/h2-8,15H,9H2,1H3.
What are the key properties of 6,7-dichloro-4-(2,2-difluoroethoxy)-1-(4-methylphenyl)sulfonylindole?
6,7-dichloro-4-(2,2-difluoroethoxy)-1-(4-methylphenyl)sulfonylindole has a molecular weight of 420.26 g/mol, XLogP of 5.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-4-(2,2-difluoroethoxy)-1-(4-methylphenyl)sulfonylindole is sourced from PubChem (CID 170427426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).