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

C20H18BrClN2O3S — CID 11190845

IUPAC1-(2-bromophenyl)sulfonyl-3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)-5-methoxyindole
SMILESCOc1ccc2c(c1)c(C1=C(Cl)CN(C)C1)cn2S(=O)(=O)c1ccccc1Br
InChIInChI=1S/C20H18BrClN2O3S/c1-23-10-16(18(22)12-23)15-11-24(19-8-7-13(27-2)9-14(15)19)28(25,26)20-6-4-3-5-17(20)21/h3-9,11H,10,12H2,1-2H3
InChIKeyJEZVWAQXXDFILV-UHFFFAOYSA-N
MW481.80 g/mol
LogP4.54
Rot. Bonds4

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

1-(2-bromophenyl)sulfonyl-3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)-5-methoxyindole (PubChem CID 11190845) has the molecular formula C20H18BrClN2O3S and a molecular weight of 481.80 g/mol. Its IUPAC name is 1-(2-bromophenyl)sulfonyl-3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)-5-methoxyindole.

Molecular Properties

Compound Name1-(2-bromophenyl)sulfonyl-3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)-5-methoxyindole
PubChem CID11190845
Molecular FormulaC20H18BrClN2O3S
Molecular Weight481.80 g/mol
Exact Mass479.99
IUPAC Name1-(2-bromophenyl)sulfonyl-3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)-5-methoxyindole
SMILESCOc1ccc2c(c1)c(C1=C(Cl)CN(C)C1)cn2S(=O)(=O)c1ccccc1Br
InChIInChI=1S/C20H18BrClN2O3S/c1-23-10-16(18(22)12-23)15-11-24(19-8-7-13(27-2)9-14(15)19)28(25,26)20-6-4-3-5-17(20)21/h3-9,11H,10,12H2,1-2H3
InChIKeyJEZVWAQXXDFILV-UHFFFAOYSA-N
XLogP4.54
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.80
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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-methoxyindole?
The IUPAC name of 1-(2-bromophenyl)sulfonyl-3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)-5-methoxyindole (CID 11190845) is 1-(2-bromophenyl)sulfonyl-3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)-5-methoxyindole.
What is the SMILES notation for 1-(2-bromophenyl)sulfonyl-3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)-5-methoxyindole?
The canonical SMILES for 1-(2-bromophenyl)sulfonyl-3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)-5-methoxyindole is COc1ccc2c(c1)c(C1=C(Cl)CN(C)C1)cn2S(=O)(=O)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)sulfonyl-3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)-5-methoxyindole?
The InChIKey is JEZVWAQXXDFILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrClN2O3S/c1-23-10-16(18(22)12-23)15-11-24(19-8-7-13(27-2)9-14(15)19)28(25,26)20-6-4-3-5-17(20)21/h3-9,11H,10,12H2,1-2H3.
What are the key properties of 1-(2-bromophenyl)sulfonyl-3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)-5-methoxyindole?
1-(2-bromophenyl)sulfonyl-3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)-5-methoxyindole has a molecular weight of 481.80 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 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-methoxyindole is sourced from PubChem (CID 11190845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).