2-[1-(2-iodophenyl)sulfonylindol-3-yl]ethanamine

C16H15IN2O2S — CID 23655288

IUPAC2-[1-(2-iodophenyl)sulfonylindol-3-yl]ethanamine
SMILESNCCc1cn(S(=O)(=O)c2ccccc2I)c2ccccc12
InChIInChI=1S/C16H15IN2O2S/c17-14-6-2-4-8-16(14)22(20,21)19-11-12(9-10-18)13-5-1-3-7-15(13)19/h1-8,11H,9-10,18H2
InChIKeyOSMVHYMSKLVMLP-UHFFFAOYSA-N
MW426.28 g/mol
LogP2.98
Rot. Bonds4

About 2-[1-(2-iodophenyl)sulfonylindol-3-yl]ethanamine

2-[1-(2-iodophenyl)sulfonylindol-3-yl]ethanamine (PubChem CID 23655288) has the molecular formula C16H15IN2O2S and a molecular weight of 426.28 g/mol. Its IUPAC name is 2-[1-(2-iodophenyl)sulfonylindol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(2-iodophenyl)sulfonylindol-3-yl]ethanamine
PubChem CID23655288
Molecular FormulaC16H15IN2O2S
Molecular Weight426.28 g/mol
Exact Mass425.99
IUPAC Name2-[1-(2-iodophenyl)sulfonylindol-3-yl]ethanamine
SMILESNCCc1cn(S(=O)(=O)c2ccccc2I)c2ccccc12
InChIInChI=1S/C16H15IN2O2S/c17-14-6-2-4-8-16(14)22(20,21)19-11-12(9-10-18)13-5-1-3-7-15(13)19/h1-8,11H,9-10,18H2
InChIKeyOSMVHYMSKLVMLP-UHFFFAOYSA-N
XLogP2.98
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.28
LogP ≤ 52.98
H-Bond Donors ≤ 51
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 2-[1-(2-iodophenyl)sulfonylindol-3-yl]ethanamine?
The IUPAC name of 2-[1-(2-iodophenyl)sulfonylindol-3-yl]ethanamine (CID 23655288) is 2-[1-(2-iodophenyl)sulfonylindol-3-yl]ethanamine.
What is the SMILES notation for 2-[1-(2-iodophenyl)sulfonylindol-3-yl]ethanamine?
The canonical SMILES for 2-[1-(2-iodophenyl)sulfonylindol-3-yl]ethanamine is NCCc1cn(S(=O)(=O)c2ccccc2I)c2ccccc12.
What is the InChIKey of 2-[1-(2-iodophenyl)sulfonylindol-3-yl]ethanamine?
The InChIKey is OSMVHYMSKLVMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15IN2O2S/c17-14-6-2-4-8-16(14)22(20,21)19-11-12(9-10-18)13-5-1-3-7-15(13)19/h1-8,11H,9-10,18H2.
What are the key properties of 2-[1-(2-iodophenyl)sulfonylindol-3-yl]ethanamine?
2-[1-(2-iodophenyl)sulfonylindol-3-yl]ethanamine has a molecular weight of 426.28 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-iodophenyl)sulfonylindol-3-yl]ethanamine is sourced from PubChem (CID 23655288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).