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

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

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Related Compounds

Masupirdine
CID 10073773
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-methylbenzenesulfonamide
CID 681823
5-methoxy-1-(phenylsulfonyl)-1H-indole
CID 6473679
MS-245
CID 6918542
3-(4-Chloro-1-methyl-2,5-dihydropyrrol-3-yl)-5-methoxy-1-(4-propan-2-ylphenyl)sulfonylindole
CID 56663077
3-(4-Chloro-1-methyl-2,5-dihydropyrrol-3-yl)-1-(4-fluorophenyl)sulfonyl-5-methoxyindole
CID 56666540
1-(Benzenesulfonyl)-3-(4-chloro-1-ethyl-2,5-dihydropyrrol-3-yl)-5-methoxyindole
CID 56666541
1-(2-Bromophenyl)sulfonyl-5-ethoxy-3-(1-methylpyrrolidin-3-yl)indole
CID 56670011
1-(2-Bromophenyl)sulfonyl-5-methoxy-3-(1-methylpyrrolidin-3-yl)indole
CID 56676836
1-(Benzenesulfonyl)-3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)-5-methoxyindole
CID 56683432
5-Methoxy-3-(1-methylpyrrolidin-3-yl)-1-(4-propan-2-ylphenyl)sulfonylindole
CID 56683496
4-[3-(2-Diethylamino-ethyl)-5-methoxy-indole-1-sulfonyl]-phenylamine
CID 10250472

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).