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

C19H19IN2O2S — CID 10298602

IUPAC1-(2-iodophenyl)sulfonyl-3-(1-methylpyrrolidin-3-yl)indole
SMILESCN1CCC(c2cn(S(=O)(=O)c3ccccc3I)c3ccccc23)C1
InChIInChI=1S/C19H19IN2O2S/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
InChIKeyLYDOPEFYQVEQHI-UHFFFAOYSA-N
MW466.34 g/mol
LogP3.90
Rot. Bonds3

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

1-(2-iodophenyl)sulfonyl-3-(1-methylpyrrolidin-3-yl)indole (PubChem CID 10298602) has the molecular formula C19H19IN2O2S and a molecular weight of 466.34 g/mol. Its IUPAC name is 1-(2-iodophenyl)sulfonyl-3-(1-methylpyrrolidin-3-yl)indole.

Molecular Properties

Compound Name1-(2-iodophenyl)sulfonyl-3-(1-methylpyrrolidin-3-yl)indole
PubChem CID10298602
Molecular FormulaC19H19IN2O2S
Molecular Weight466.34 g/mol
Exact Mass466.02
IUPAC Name1-(2-iodophenyl)sulfonyl-3-(1-methylpyrrolidin-3-yl)indole
SMILESCN1CCC(c2cn(S(=O)(=O)c3ccccc3I)c3ccccc23)C1
InChIInChI=1S/C19H19IN2O2S/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
InChIKeyLYDOPEFYQVEQHI-UHFFFAOYSA-N
XLogP3.90
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.34
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-iodophenyl)sulfonyl-3-(1-methylpyrrolidin-3-yl)indole?
The IUPAC name of 1-(2-iodophenyl)sulfonyl-3-(1-methylpyrrolidin-3-yl)indole (CID 10298602) is 1-(2-iodophenyl)sulfonyl-3-(1-methylpyrrolidin-3-yl)indole.
What is the SMILES notation for 1-(2-iodophenyl)sulfonyl-3-(1-methylpyrrolidin-3-yl)indole?
The canonical SMILES for 1-(2-iodophenyl)sulfonyl-3-(1-methylpyrrolidin-3-yl)indole is CN1CCC(c2cn(S(=O)(=O)c3ccccc3I)c3ccccc23)C1.
What is the InChIKey of 1-(2-iodophenyl)sulfonyl-3-(1-methylpyrrolidin-3-yl)indole?
The InChIKey is LYDOPEFYQVEQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19IN2O2S/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-iodophenyl)sulfonyl-3-(1-methylpyrrolidin-3-yl)indole?
1-(2-iodophenyl)sulfonyl-3-(1-methylpyrrolidin-3-yl)indole has a molecular weight of 466.34 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-iodophenyl)sulfonyl-3-(1-methylpyrrolidin-3-yl)indole is sourced from PubChem (CID 10298602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).