3-(4-chloro-1-ethyl-2,5-dihydropyrrol-3-yl)-1-(3-chlorophenyl)sulfonylindole

C20H18Cl2N2O2S — CID 56683431

IUPAC3-(4-chloro-1-ethyl-2,5-dihydropyrrol-3-yl)-1-(3-chlorophenyl)sulfonylindole
SMILESCCN1CC(Cl)=C(c2cn(S(=O)(=O)c3cccc(Cl)c3)c3ccccc23)C1
InChIInChI=1S/C20H18Cl2N2O2S/c1-2-23-11-18(19(22)13-23)17-12-24(20-9-4-3-8-16(17)20)27(25,26)15-7-5-6-14(21)10-15/h3-10,12H,2,11,13H2,1H3
InChIKeyWCPOFUQCHWQSNA-UHFFFAOYSA-N
MW421.35 g/mol
LogP4.82
Rot. Bonds4

About 3-(4-chloro-1-ethyl-2,5-dihydropyrrol-3-yl)-1-(3-chlorophenyl)sulfonylindole

3-(4-chloro-1-ethyl-2,5-dihydropyrrol-3-yl)-1-(3-chlorophenyl)sulfonylindole (PubChem CID 56683431) has the molecular formula C20H18Cl2N2O2S and a molecular weight of 421.35 g/mol. Its IUPAC name is 3-(4-chloro-1-ethyl-2,5-dihydropyrrol-3-yl)-1-(3-chlorophenyl)sulfonylindole.

Molecular Properties

Compound Name3-(4-chloro-1-ethyl-2,5-dihydropyrrol-3-yl)-1-(3-chlorophenyl)sulfonylindole
PubChem CID56683431
Molecular FormulaC20H18Cl2N2O2S
Molecular Weight421.35 g/mol
Exact Mass420.05
IUPAC Name3-(4-chloro-1-ethyl-2,5-dihydropyrrol-3-yl)-1-(3-chlorophenyl)sulfonylindole
SMILESCCN1CC(Cl)=C(c2cn(S(=O)(=O)c3cccc(Cl)c3)c3ccccc23)C1
InChIInChI=1S/C20H18Cl2N2O2S/c1-2-23-11-18(19(22)13-23)17-12-24(20-9-4-3-8-16(17)20)27(25,26)15-7-5-6-14(21)10-15/h3-10,12H,2,11,13H2,1H3
InChIKeyWCPOFUQCHWQSNA-UHFFFAOYSA-N
XLogP4.82
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.35
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-1-ethyl-2,5-dihydropyrrol-3-yl)-1-(3-chlorophenyl)sulfonylindole?
The IUPAC name of 3-(4-chloro-1-ethyl-2,5-dihydropyrrol-3-yl)-1-(3-chlorophenyl)sulfonylindole (CID 56683431) is 3-(4-chloro-1-ethyl-2,5-dihydropyrrol-3-yl)-1-(3-chlorophenyl)sulfonylindole.
What is the SMILES notation for 3-(4-chloro-1-ethyl-2,5-dihydropyrrol-3-yl)-1-(3-chlorophenyl)sulfonylindole?
The canonical SMILES for 3-(4-chloro-1-ethyl-2,5-dihydropyrrol-3-yl)-1-(3-chlorophenyl)sulfonylindole is CCN1CC(Cl)=C(c2cn(S(=O)(=O)c3cccc(Cl)c3)c3ccccc23)C1.
What is the InChIKey of 3-(4-chloro-1-ethyl-2,5-dihydropyrrol-3-yl)-1-(3-chlorophenyl)sulfonylindole?
The InChIKey is WCPOFUQCHWQSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N2O2S/c1-2-23-11-18(19(22)13-23)17-12-24(20-9-4-3-8-16(17)20)27(25,26)15-7-5-6-14(21)10-15/h3-10,12H,2,11,13H2,1H3.
What are the key properties of 3-(4-chloro-1-ethyl-2,5-dihydropyrrol-3-yl)-1-(3-chlorophenyl)sulfonylindole?
3-(4-chloro-1-ethyl-2,5-dihydropyrrol-3-yl)-1-(3-chlorophenyl)sulfonylindole has a molecular weight of 421.35 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-1-ethyl-2,5-dihydropyrrol-3-yl)-1-(3-chlorophenyl)sulfonylindole is sourced from PubChem (CID 56683431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).