1-(2-bromophenyl)sulfonyl-3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)-5-fluoroindole

C19H15BrClFN2O2S — CID 56676956

IUPAC1-(2-bromophenyl)sulfonyl-3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)-5-fluoroindole
SMILESCN1CC(Cl)=C(c2cn(S(=O)(=O)c3ccccc3Br)c3ccc(F)cc23)C1
InChIInChI=1S/C19H15BrClFN2O2S/c1-23-9-15(17(21)11-23)14-10-24(18-7-6-12(22)8-13(14)18)27(25,26)19-5-3-2-4-16(19)20/h2-8,10H,9,11H2,1H3
InChIKeyUMWQNIMLZZFCAD-UHFFFAOYSA-N
MW469.76 g/mol
LogP4.68
Rot. Bonds3

About 1-(2-bromophenyl)sulfonyl-3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)-5-fluoroindole

1-(2-bromophenyl)sulfonyl-3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)-5-fluoroindole (PubChem CID 56676956) has the molecular formula C19H15BrClFN2O2S and a molecular weight of 469.76 g/mol. Its IUPAC name is 1-(2-bromophenyl)sulfonyl-3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)-5-fluoroindole.

Molecular Properties

Compound Name1-(2-bromophenyl)sulfonyl-3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)-5-fluoroindole
PubChem CID56676956
Molecular FormulaC19H15BrClFN2O2S
Molecular Weight469.76 g/mol
Exact Mass467.97
IUPAC Name1-(2-bromophenyl)sulfonyl-3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)-5-fluoroindole
SMILESCN1CC(Cl)=C(c2cn(S(=O)(=O)c3ccccc3Br)c3ccc(F)cc23)C1
InChIInChI=1S/C19H15BrClFN2O2S/c1-23-9-15(17(21)11-23)14-10-24(18-7-6-12(22)8-13(14)18)27(25,26)19-5-3-2-4-16(19)20/h2-8,10H,9,11H2,1H3
InChIKeyUMWQNIMLZZFCAD-UHFFFAOYSA-N
XLogP4.68
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.76
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)sulfonyl-3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)-5-fluoroindole?
The IUPAC name of 1-(2-bromophenyl)sulfonyl-3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)-5-fluoroindole (CID 56676956) is 1-(2-bromophenyl)sulfonyl-3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)-5-fluoroindole.
What is the SMILES notation for 1-(2-bromophenyl)sulfonyl-3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)-5-fluoroindole?
The canonical SMILES for 1-(2-bromophenyl)sulfonyl-3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)-5-fluoroindole is CN1CC(Cl)=C(c2cn(S(=O)(=O)c3ccccc3Br)c3ccc(F)cc23)C1.
What is the InChIKey of 1-(2-bromophenyl)sulfonyl-3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)-5-fluoroindole?
The InChIKey is UMWQNIMLZZFCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrClFN2O2S/c1-23-9-15(17(21)11-23)14-10-24(18-7-6-12(22)8-13(14)18)27(25,26)19-5-3-2-4-16(19)20/h2-8,10H,9,11H2,1H3.
What are the key properties of 1-(2-bromophenyl)sulfonyl-3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)-5-fluoroindole?
1-(2-bromophenyl)sulfonyl-3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)-5-fluoroindole has a molecular weight of 469.76 g/mol, XLogP of 4.68, 3 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-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)-5-fluoroindole is sourced from PubChem (CID 56676956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).