1-(2-bromophenyl)sulfonyl-3-(1-methylpyrrolidin-3-yl)indole

C19H19BrN2O2S — CID 10136837

IUPAC1-(2-bromophenyl)sulfonyl-3-(1-methylpyrrolidin-3-yl)indole
SMILESCN1CCC(c2cn(S(=O)(=O)c3ccccc3Br)c3ccccc23)C1
InChIInChI=1S/C19H19BrN2O2S/c1-21-11-10-14(12-21)16-13-22(18-8-4-2-6-15(16)18)25(23,24)19-9-5-3-7-17(19)20/h2-9,13-14H,10-12H2,1H3
InChIKeyNJAWBWFJLFGUHK-UHFFFAOYSA-N
MW419.34 g/mol
LogP4.06
Rot. Bonds3

About 1-(2-bromophenyl)sulfonyl-3-(1-methylpyrrolidin-3-yl)indole

1-(2-bromophenyl)sulfonyl-3-(1-methylpyrrolidin-3-yl)indole (PubChem CID 10136837) has the molecular formula C19H19BrN2O2S and a molecular weight of 419.34 g/mol. Its IUPAC name is 1-(2-bromophenyl)sulfonyl-3-(1-methylpyrrolidin-3-yl)indole.

Molecular Properties

Compound Name1-(2-bromophenyl)sulfonyl-3-(1-methylpyrrolidin-3-yl)indole
PubChem CID10136837
Molecular FormulaC19H19BrN2O2S
Molecular Weight419.34 g/mol
Exact Mass418.04
IUPAC Name1-(2-bromophenyl)sulfonyl-3-(1-methylpyrrolidin-3-yl)indole
SMILESCN1CCC(c2cn(S(=O)(=O)c3ccccc3Br)c3ccccc23)C1
InChIInChI=1S/C19H19BrN2O2S/c1-21-11-10-14(12-21)16-13-22(18-8-4-2-6-15(16)18)25(23,24)19-9-5-3-7-17(19)20/h2-9,13-14H,10-12H2,1H3
InChIKeyNJAWBWFJLFGUHK-UHFFFAOYSA-N
XLogP4.06
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.34
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)sulfonyl-3-(1-methylpyrrolidin-3-yl)indole?
The IUPAC name of 1-(2-bromophenyl)sulfonyl-3-(1-methylpyrrolidin-3-yl)indole (CID 10136837) is 1-(2-bromophenyl)sulfonyl-3-(1-methylpyrrolidin-3-yl)indole.
What is the SMILES notation for 1-(2-bromophenyl)sulfonyl-3-(1-methylpyrrolidin-3-yl)indole?
The canonical SMILES for 1-(2-bromophenyl)sulfonyl-3-(1-methylpyrrolidin-3-yl)indole is CN1CCC(c2cn(S(=O)(=O)c3ccccc3Br)c3ccccc23)C1.
What is the InChIKey of 1-(2-bromophenyl)sulfonyl-3-(1-methylpyrrolidin-3-yl)indole?
The InChIKey is NJAWBWFJLFGUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O2S/c1-21-11-10-14(12-21)16-13-22(18-8-4-2-6-15(16)18)25(23,24)19-9-5-3-7-17(19)20/h2-9,13-14H,10-12H2,1H3.
What are the key properties of 1-(2-bromophenyl)sulfonyl-3-(1-methylpyrrolidin-3-yl)indole?
1-(2-bromophenyl)sulfonyl-3-(1-methylpyrrolidin-3-yl)indole has a molecular weight of 419.34 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)sulfonyl-3-(1-methylpyrrolidin-3-yl)indole is sourced from PubChem (CID 10136837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).