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

C20H18BrClN2O2S — CID 56680080

IUPAC1-(4-bromophenyl)sulfonyl-3-(4-chloro-1-ethyl-2,5-dihydropyrrol-3-yl)indole
SMILESCCN1CC(Cl)=C(c2cn(S(=O)(=O)c3ccc(Br)cc3)c3ccccc23)C1
InChIInChI=1S/C20H18BrClN2O2S/c1-2-23-11-18(19(22)13-23)17-12-24(20-6-4-3-5-16(17)20)27(25,26)15-9-7-14(21)8-10-15/h3-10,12H,2,11,13H2,1H3
InChIKeyGWXXSOYQFDDZEV-UHFFFAOYSA-N
MW465.80 g/mol
LogP4.93
Rot. Bonds4

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

1-(4-bromophenyl)sulfonyl-3-(4-chloro-1-ethyl-2,5-dihydropyrrol-3-yl)indole (PubChem CID 56680080) has the molecular formula C20H18BrClN2O2S and a molecular weight of 465.80 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfonyl-3-(4-chloro-1-ethyl-2,5-dihydropyrrol-3-yl)indole.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfonyl-3-(4-chloro-1-ethyl-2,5-dihydropyrrol-3-yl)indole
PubChem CID56680080
Molecular FormulaC20H18BrClN2O2S
Molecular Weight465.80 g/mol
Exact Mass464.00
IUPAC Name1-(4-bromophenyl)sulfonyl-3-(4-chloro-1-ethyl-2,5-dihydropyrrol-3-yl)indole
SMILESCCN1CC(Cl)=C(c2cn(S(=O)(=O)c3ccc(Br)cc3)c3ccccc23)C1
InChIInChI=1S/C20H18BrClN2O2S/c1-2-23-11-18(19(22)13-23)17-12-24(20-6-4-3-5-16(17)20)27(25,26)15-9-7-14(21)8-10-15/h3-10,12H,2,11,13H2,1H3
InChIKeyGWXXSOYQFDDZEV-UHFFFAOYSA-N
XLogP4.93
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.80
LogP ≤ 54.93
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-ethyl-2,5-dihydropyrrol-3-yl)indole?
The IUPAC name of 1-(4-bromophenyl)sulfonyl-3-(4-chloro-1-ethyl-2,5-dihydropyrrol-3-yl)indole (CID 56680080) is 1-(4-bromophenyl)sulfonyl-3-(4-chloro-1-ethyl-2,5-dihydropyrrol-3-yl)indole.
What is the SMILES notation for 1-(4-bromophenyl)sulfonyl-3-(4-chloro-1-ethyl-2,5-dihydropyrrol-3-yl)indole?
The canonical SMILES for 1-(4-bromophenyl)sulfonyl-3-(4-chloro-1-ethyl-2,5-dihydropyrrol-3-yl)indole is CCN1CC(Cl)=C(c2cn(S(=O)(=O)c3ccc(Br)cc3)c3ccccc23)C1.
What is the InChIKey of 1-(4-bromophenyl)sulfonyl-3-(4-chloro-1-ethyl-2,5-dihydropyrrol-3-yl)indole?
The InChIKey is GWXXSOYQFDDZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrClN2O2S/c1-2-23-11-18(19(22)13-23)17-12-24(20-6-4-3-5-16(17)20)27(25,26)15-9-7-14(21)8-10-15/h3-10,12H,2,11,13H2,1H3.
What are the key properties of 1-(4-bromophenyl)sulfonyl-3-(4-chloro-1-ethyl-2,5-dihydropyrrol-3-yl)indole?
1-(4-bromophenyl)sulfonyl-3-(4-chloro-1-ethyl-2,5-dihydropyrrol-3-yl)indole has a molecular weight of 465.80 g/mol, XLogP of 4.93, 4 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-ethyl-2,5-dihydropyrrol-3-yl)indole is sourced from PubChem (CID 56680080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).