3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)-1-(4-fluorophenyl)sulfonylindole

C19H16ClFN2O2S — CID 11372738

IUPAC3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)-1-(4-fluorophenyl)sulfonylindole
SMILESCN1CC(Cl)=C(c2cn(S(=O)(=O)c3ccc(F)cc3)c3ccccc23)C1
InChIInChI=1S/C19H16ClFN2O2S/c1-22-10-17(18(20)12-22)16-11-23(19-5-3-2-4-15(16)19)26(24,25)14-8-6-13(21)7-9-14/h2-9,11H,10,12H2,1H3
InChIKeyBSUNLXLBVQPAFJ-UHFFFAOYSA-N
MW390.87 g/mol
LogP3.91
Rot. Bonds3

About 3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)-1-(4-fluorophenyl)sulfonylindole

3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)-1-(4-fluorophenyl)sulfonylindole (PubChem CID 11372738) has the molecular formula C19H16ClFN2O2S and a molecular weight of 390.87 g/mol. Its IUPAC name is 3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)-1-(4-fluorophenyl)sulfonylindole.

Molecular Properties

Compound Name3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)-1-(4-fluorophenyl)sulfonylindole
PubChem CID11372738
Molecular FormulaC19H16ClFN2O2S
Molecular Weight390.87 g/mol
Exact Mass390.06
IUPAC Name3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)-1-(4-fluorophenyl)sulfonylindole
SMILESCN1CC(Cl)=C(c2cn(S(=O)(=O)c3ccc(F)cc3)c3ccccc23)C1
InChIInChI=1S/C19H16ClFN2O2S/c1-22-10-17(18(20)12-22)16-11-23(19-5-3-2-4-15(16)19)26(24,25)14-8-6-13(21)7-9-14/h2-9,11H,10,12H2,1H3
InChIKeyBSUNLXLBVQPAFJ-UHFFFAOYSA-N
XLogP3.91
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)-1-(4-fluorophenyl)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 3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)-1-(4-fluorophenyl)sulfonylindole?
The IUPAC name of 3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)-1-(4-fluorophenyl)sulfonylindole (CID 11372738) is 3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)-1-(4-fluorophenyl)sulfonylindole.
What is the SMILES notation for 3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)-1-(4-fluorophenyl)sulfonylindole?
The canonical SMILES for 3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)-1-(4-fluorophenyl)sulfonylindole is CN1CC(Cl)=C(c2cn(S(=O)(=O)c3ccc(F)cc3)c3ccccc23)C1.
What is the InChIKey of 3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)-1-(4-fluorophenyl)sulfonylindole?
The InChIKey is BSUNLXLBVQPAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O2S/c1-22-10-17(18(20)12-22)16-11-23(19-5-3-2-4-15(16)19)26(24,25)14-8-6-13(21)7-9-14/h2-9,11H,10,12H2,1H3.
What are the key properties of 3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)-1-(4-fluorophenyl)sulfonylindole?
3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)-1-(4-fluorophenyl)sulfonylindole has a molecular weight of 390.87 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)-1-(4-fluorophenyl)sulfonylindole is sourced from PubChem (CID 11372738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).