1-(2-bromophenyl)sulfonyl-3-(1-ethylpyrrolidin-3-yl)indole

C20H21BrN2O2S — CID 56666594

IUPAC1-(2-bromophenyl)sulfonyl-3-(1-ethylpyrrolidin-3-yl)indole
SMILESCCN1CCC(c2cn(S(=O)(=O)c3ccccc3Br)c3ccccc23)C1
InChIInChI=1S/C20H21BrN2O2S/c1-2-22-12-11-15(13-22)17-14-23(19-9-5-3-7-16(17)19)26(24,25)20-10-6-4-8-18(20)21/h3-10,14-15H,2,11-13H2,1H3
InChIKeyWPYFDDYWFOATMX-UHFFFAOYSA-N
MW433.37 g/mol
LogP4.45
Rot. Bonds4

About 1-(2-bromophenyl)sulfonyl-3-(1-ethylpyrrolidin-3-yl)indole

1-(2-bromophenyl)sulfonyl-3-(1-ethylpyrrolidin-3-yl)indole (PubChem CID 56666594) has the molecular formula C20H21BrN2O2S and a molecular weight of 433.37 g/mol. Its IUPAC name is 1-(2-bromophenyl)sulfonyl-3-(1-ethylpyrrolidin-3-yl)indole.

Molecular Properties

Compound Name1-(2-bromophenyl)sulfonyl-3-(1-ethylpyrrolidin-3-yl)indole
PubChem CID56666594
Molecular FormulaC20H21BrN2O2S
Molecular Weight433.37 g/mol
Exact Mass432.05
IUPAC Name1-(2-bromophenyl)sulfonyl-3-(1-ethylpyrrolidin-3-yl)indole
SMILESCCN1CCC(c2cn(S(=O)(=O)c3ccccc3Br)c3ccccc23)C1
InChIInChI=1S/C20H21BrN2O2S/c1-2-22-12-11-15(13-22)17-14-23(19-9-5-3-7-16(17)19)26(24,25)20-10-6-4-8-18(20)21/h3-10,14-15H,2,11-13H2,1H3
InChIKeyWPYFDDYWFOATMX-UHFFFAOYSA-N
XLogP4.45
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.37
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2-bromophenyl)sulfonyl-3-(1-ethylpyrrolidin-3-yl)indole 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-(2-bromophenyl)sulfonyl-3-(1-ethylpyrrolidin-3-yl)indole?
The IUPAC name of 1-(2-bromophenyl)sulfonyl-3-(1-ethylpyrrolidin-3-yl)indole (CID 56666594) is 1-(2-bromophenyl)sulfonyl-3-(1-ethylpyrrolidin-3-yl)indole.
What is the SMILES notation for 1-(2-bromophenyl)sulfonyl-3-(1-ethylpyrrolidin-3-yl)indole?
The canonical SMILES for 1-(2-bromophenyl)sulfonyl-3-(1-ethylpyrrolidin-3-yl)indole is CCN1CCC(c2cn(S(=O)(=O)c3ccccc3Br)c3ccccc23)C1.
What is the InChIKey of 1-(2-bromophenyl)sulfonyl-3-(1-ethylpyrrolidin-3-yl)indole?
The InChIKey is WPYFDDYWFOATMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN2O2S/c1-2-22-12-11-15(13-22)17-14-23(19-9-5-3-7-16(17)19)26(24,25)20-10-6-4-8-18(20)21/h3-10,14-15H,2,11-13H2,1H3.
What are the key properties of 1-(2-bromophenyl)sulfonyl-3-(1-ethylpyrrolidin-3-yl)indole?
1-(2-bromophenyl)sulfonyl-3-(1-ethylpyrrolidin-3-yl)indole has a molecular weight of 433.37 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)sulfonyl-3-(1-ethylpyrrolidin-3-yl)indole is sourced from PubChem (CID 56666594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).