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

C19H16BrClN2O2S — CID 11190207

IUPAC1-(4-bromophenyl)sulfonyl-3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)indole
SMILESCN1CC(Cl)=C(c2cn(S(=O)(=O)c3ccc(Br)cc3)c3ccccc23)C1
InChIInChI=1S/C19H16BrClN2O2S/c1-22-10-17(18(21)12-22)16-11-23(19-5-3-2-4-15(16)19)26(24,25)14-8-6-13(20)7-9-14/h2-9,11H,10,12H2,1H3
InChIKeyIISCUUOMDCMADJ-UHFFFAOYSA-N
MW451.77 g/mol
LogP4.54
Rot. Bonds3

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

1-(4-bromophenyl)sulfonyl-3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)indole (PubChem CID 11190207) has the molecular formula C19H16BrClN2O2S and a molecular weight of 451.77 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfonyl-3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)indole.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfonyl-3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)indole
PubChem CID11190207
Molecular FormulaC19H16BrClN2O2S
Molecular Weight451.77 g/mol
Exact Mass449.98
IUPAC Name1-(4-bromophenyl)sulfonyl-3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)indole
SMILESCN1CC(Cl)=C(c2cn(S(=O)(=O)c3ccc(Br)cc3)c3ccccc23)C1
InChIInChI=1S/C19H16BrClN2O2S/c1-22-10-17(18(21)12-22)16-11-23(19-5-3-2-4-15(16)19)26(24,25)14-8-6-13(20)7-9-14/h2-9,11H,10,12H2,1H3
InChIKeyIISCUUOMDCMADJ-UHFFFAOYSA-N
XLogP4.54
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.77
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfonyl-3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)indole?
The IUPAC name of 1-(4-bromophenyl)sulfonyl-3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)indole (CID 11190207) is 1-(4-bromophenyl)sulfonyl-3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)indole.
What is the SMILES notation for 1-(4-bromophenyl)sulfonyl-3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)indole?
The canonical SMILES for 1-(4-bromophenyl)sulfonyl-3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)indole is CN1CC(Cl)=C(c2cn(S(=O)(=O)c3ccc(Br)cc3)c3ccccc23)C1.
What is the InChIKey of 1-(4-bromophenyl)sulfonyl-3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)indole?
The InChIKey is IISCUUOMDCMADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrClN2O2S/c1-22-10-17(18(21)12-22)16-11-23(19-5-3-2-4-15(16)19)26(24,25)14-8-6-13(20)7-9-14/h2-9,11H,10,12H2,1H3.
What are the key properties of 1-(4-bromophenyl)sulfonyl-3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)indole?
1-(4-bromophenyl)sulfonyl-3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)indole has a molecular weight of 451.77 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)sulfonyl-3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)indole is sourced from PubChem (CID 11190207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).