5-iodo-1-propylsulfonyl-2,3-dihydroindole

C11H14INO2S — CID 129452194

IUPAC5-iodo-1-propylsulfonyl-2,3-dihydroindole
SMILESCCCS(=O)(=O)N1CCc2cc(I)ccc21
InChIInChI=1S/C11H14INO2S/c1-2-7-16(14,15)13-6-5-9-8-10(12)3-4-11(9)13/h3-4,8H,2,5-7H2,1H3
InChIKeyUXFMFMODSNYPBZ-UHFFFAOYSA-N
MW351.21 g/mol
LogP2.39
Rot. Bonds3

About 5-iodo-1-propylsulfonyl-2,3-dihydroindole

5-iodo-1-propylsulfonyl-2,3-dihydroindole (PubChem CID 129452194) has the molecular formula C11H14INO2S and a molecular weight of 351.21 g/mol. Its IUPAC name is 5-iodo-1-propylsulfonyl-2,3-dihydroindole.

Molecular Properties

Compound Name5-iodo-1-propylsulfonyl-2,3-dihydroindole
PubChem CID129452194
Molecular FormulaC11H14INO2S
Molecular Weight351.21 g/mol
Exact Mass350.98
IUPAC Name5-iodo-1-propylsulfonyl-2,3-dihydroindole
SMILESCCCS(=O)(=O)N1CCc2cc(I)ccc21
InChIInChI=1S/C11H14INO2S/c1-2-7-16(14,15)13-6-5-9-8-10(12)3-4-11(9)13/h3-4,8H,2,5-7H2,1H3
InChIKeyUXFMFMODSNYPBZ-UHFFFAOYSA-N
XLogP2.39
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.21
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-fluoro-1-propylsulfonyl-3,4-dihydro-2H-quinoline
CID 110714234
1-butylsulfonyl-5-methoxy-2,3-dihydroindole
CID 110714111
1-propylsulfonyl-2,3-dihydroindole-6-carboxylic acid
CID 113382378
6-iodo-1-methylsulfonyl-3,4-dihydro-2H-quinoline
CID 19785606
1-ethylsulfonyl-5-fluoro-2,3-dihydroindole
CID 110713992
1-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine
CID 102661429
1-[1-(2-methylsulfonylethylsulfonyl)-2,3-dihydroindol-5-yl]ethanone
CID 102662170
1-(3-methylbutylsulfonyl)-2,3-dihydroindol-5-amine
CID 55262070
1-butylsulfonyl-6-chloro-3,4-dihydro-2H-quinoline
CID 110714280
1-butylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 43142373
1-(3-methylbutylsulfonyl)-2,3-dihydroindole-5-sulfonamide
CID 52882056
2,3,5,6-tetramethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
CID 27368931

Frequently Asked Questions

What is the IUPAC name of 5-iodo-1-propylsulfonyl-2,3-dihydroindole?
The IUPAC name of 5-iodo-1-propylsulfonyl-2,3-dihydroindole (CID 129452194) is 5-iodo-1-propylsulfonyl-2,3-dihydroindole.
What is the SMILES notation for 5-iodo-1-propylsulfonyl-2,3-dihydroindole?
The canonical SMILES for 5-iodo-1-propylsulfonyl-2,3-dihydroindole is CCCS(=O)(=O)N1CCc2cc(I)ccc21.
What is the InChIKey of 5-iodo-1-propylsulfonyl-2,3-dihydroindole?
The InChIKey is UXFMFMODSNYPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14INO2S/c1-2-7-16(14,15)13-6-5-9-8-10(12)3-4-11(9)13/h3-4,8H,2,5-7H2,1H3.
What are the key properties of 5-iodo-1-propylsulfonyl-2,3-dihydroindole?
5-iodo-1-propylsulfonyl-2,3-dihydroindole has a molecular weight of 351.21 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-1-propylsulfonyl-2,3-dihydroindole is sourced from PubChem (CID 129452194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).