1-benzylsulfonyl-2-iodoindole

C15H12INO2S — CID 146689945

IUPAC1-benzylsulfonyl-2-iodoindole
SMILESO=S(=O)(Cc1ccccc1)n1c(I)cc2ccccc21
InChIInChI=1S/C15H12INO2S/c16-15-10-13-8-4-5-9-14(13)17(15)20(18,19)11-12-6-2-1-3-7-12/h1-10H,11H2
InChIKeyQFPHNTICNQQOLU-UHFFFAOYSA-N
MW397.24 g/mol
LogP3.62
Rot. Bonds3

About 1-benzylsulfonyl-2-iodoindole

1-benzylsulfonyl-2-iodoindole (PubChem CID 146689945) has the molecular formula C15H12INO2S and a molecular weight of 397.24 g/mol. Its IUPAC name is 1-benzylsulfonyl-2-iodoindole.

Molecular Properties

Compound Name1-benzylsulfonyl-2-iodoindole
PubChem CID146689945
Molecular FormulaC15H12INO2S
Molecular Weight397.24 g/mol
Exact Mass396.96
IUPAC Name1-benzylsulfonyl-2-iodoindole
SMILESO=S(=O)(Cc1ccccc1)n1c(I)cc2ccccc21
InChIInChI=1S/C15H12INO2S/c16-15-10-13-8-4-5-9-14(13)17(15)20(18,19)11-12-6-2-1-3-7-12/h1-10H,11H2
InChIKeyQFPHNTICNQQOLU-UHFFFAOYSA-N
XLogP3.62
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.24
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-benzylsulfonyl-2-iodoindole?
The IUPAC name of 1-benzylsulfonyl-2-iodoindole (CID 146689945) is 1-benzylsulfonyl-2-iodoindole.
What is the SMILES notation for 1-benzylsulfonyl-2-iodoindole?
The canonical SMILES for 1-benzylsulfonyl-2-iodoindole is O=S(=O)(Cc1ccccc1)n1c(I)cc2ccccc21.
What is the InChIKey of 1-benzylsulfonyl-2-iodoindole?
The InChIKey is QFPHNTICNQQOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12INO2S/c16-15-10-13-8-4-5-9-14(13)17(15)20(18,19)11-12-6-2-1-3-7-12/h1-10H,11H2.
What are the key properties of 1-benzylsulfonyl-2-iodoindole?
1-benzylsulfonyl-2-iodoindole has a molecular weight of 397.24 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfonyl-2-iodoindole is sourced from PubChem (CID 146689945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).