1-butylsulfonyl-5-methoxy-2,3-dihydroindole

C13H19NO3S — CID 110714111

IUPAC1-butylsulfonyl-5-methoxy-2,3-dihydroindole
SMILESCCCCS(=O)(=O)N1CCc2cc(OC)ccc21
InChIInChI=1S/C13H19NO3S/c1-3-4-9-18(15,16)14-8-7-11-10-12(17-2)5-6-13(11)14/h5-6,10H,3-4,7-9H2,1-2H3
InChIKeyPGJPDVSJTMJNEO-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.19
Rot. Bonds5

About 1-butylsulfonyl-5-methoxy-2,3-dihydroindole

1-butylsulfonyl-5-methoxy-2,3-dihydroindole (PubChem CID 110714111) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 1-butylsulfonyl-5-methoxy-2,3-dihydroindole.

Molecular Properties

Compound Name1-butylsulfonyl-5-methoxy-2,3-dihydroindole
PubChem CID110714111
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name1-butylsulfonyl-5-methoxy-2,3-dihydroindole
SMILESCCCCS(=O)(=O)N1CCc2cc(OC)ccc21
InChIInChI=1S/C13H19NO3S/c1-3-4-9-18(15,16)14-8-7-11-10-12(17-2)5-6-13(11)14/h5-6,10H,3-4,7-9H2,1-2H3
InChIKeyPGJPDVSJTMJNEO-UHFFFAOYSA-N
XLogP2.19
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-1-methylsulfonyl-2,3-dihydroindole
CID 110714108
1-butylsulfonyl-6-chloro-3,4-dihydro-2H-quinoline
CID 110714280
5-iodo-1-propylsulfonyl-2,3-dihydroindole
CID 129452194
1-butylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 43142373
2-butylsulfonyl-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline
CID 110289255
1-[(2-chlorophenyl)methylsulfonyl]-5-methoxy-2,3-dihydroindole
CID 110714138
1-[1-(3-methoxypropylsulfonyl)-2,3-dihydroindol-5-yl]ethanamine
CID 102661285
1-ethylsulfonyl-7-methoxy-3,4-dihydro-2H-quinoline
CID 110749885
5-methoxy-1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-2,3-dihydroindole
CID 110714127
2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119310079
1-ethylsulfonyl-5-fluoro-2,3-dihydroindole
CID 110713992
1-[1-(2-methylsulfonylethylsulfonyl)-2,3-dihydroindol-5-yl]ethanone
CID 102662170

Frequently Asked Questions

What is the IUPAC name of 1-butylsulfonyl-5-methoxy-2,3-dihydroindole?
The IUPAC name of 1-butylsulfonyl-5-methoxy-2,3-dihydroindole (CID 110714111) is 1-butylsulfonyl-5-methoxy-2,3-dihydroindole.
What is the SMILES notation for 1-butylsulfonyl-5-methoxy-2,3-dihydroindole?
The canonical SMILES for 1-butylsulfonyl-5-methoxy-2,3-dihydroindole is CCCCS(=O)(=O)N1CCc2cc(OC)ccc21.
What is the InChIKey of 1-butylsulfonyl-5-methoxy-2,3-dihydroindole?
The InChIKey is PGJPDVSJTMJNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-3-4-9-18(15,16)14-8-7-11-10-12(17-2)5-6-13(11)14/h5-6,10H,3-4,7-9H2,1-2H3.
What are the key properties of 1-butylsulfonyl-5-methoxy-2,3-dihydroindole?
1-butylsulfonyl-5-methoxy-2,3-dihydroindole has a molecular weight of 269.37 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfonyl-5-methoxy-2,3-dihydroindole is sourced from PubChem (CID 110714111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).