2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfanyl-5-(trifluoromethyl)-1H-pyrrole

C17H10Cl2F3NS — CID 10960055

IUPAC2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfanyl-5-(trifluoromethyl)-1H-pyrrole
SMILESFC(F)(F)c1cc(Sc2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C17H10Cl2F3NS/c18-11-3-1-10(2-4-11)16-14(9-15(23-16)17(20,21)22)24-13-7-5-12(19)6-8-13/h1-9,23H
InChIKeyWEZPRYKTKMBYHD-UHFFFAOYSA-N
MW388.24 g/mol
LogP7.16
Rot. Bonds3

About 2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfanyl-5-(trifluoromethyl)-1H-pyrrole

2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfanyl-5-(trifluoromethyl)-1H-pyrrole (PubChem CID 10960055) has the molecular formula C17H10Cl2F3NS and a molecular weight of 388.24 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfanyl-5-(trifluoromethyl)-1H-pyrrole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfanyl-5-(trifluoromethyl)-1H-pyrrole
PubChem CID10960055
Molecular FormulaC17H10Cl2F3NS
Molecular Weight388.24 g/mol
Exact Mass386.99
IUPAC Name2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfanyl-5-(trifluoromethyl)-1H-pyrrole
SMILESFC(F)(F)c1cc(Sc2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C17H10Cl2F3NS/c18-11-3-1-10(2-4-11)16-14(9-15(23-16)17(20,21)22)24-13-7-5-12(19)6-8-13/h1-9,23H
InChIKeyWEZPRYKTKMBYHD-UHFFFAOYSA-N
XLogP7.16
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.24
LogP ≤ 57.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfanyl-5-(trifluoromethyl)-1H-pyrrole 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-(4-chlorophenyl)-3-(4-chlorophenyl)sulfanyl-5-(trifluoromethyl)-1H-pyrrole?
The IUPAC name of 2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfanyl-5-(trifluoromethyl)-1H-pyrrole (CID 10960055) is 2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfanyl-5-(trifluoromethyl)-1H-pyrrole.
What is the SMILES notation for 2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfanyl-5-(trifluoromethyl)-1H-pyrrole?
The canonical SMILES for 2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfanyl-5-(trifluoromethyl)-1H-pyrrole is FC(F)(F)c1cc(Sc2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)[nH]1.
What is the InChIKey of 2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfanyl-5-(trifluoromethyl)-1H-pyrrole?
The InChIKey is WEZPRYKTKMBYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2F3NS/c18-11-3-1-10(2-4-11)16-14(9-15(23-16)17(20,21)22)24-13-7-5-12(19)6-8-13/h1-9,23H.
What are the key properties of 2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfanyl-5-(trifluoromethyl)-1H-pyrrole?
2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfanyl-5-(trifluoromethyl)-1H-pyrrole has a molecular weight of 388.24 g/mol, XLogP of 7.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfanyl-5-(trifluoromethyl)-1H-pyrrole is sourced from PubChem (CID 10960055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).