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

C10H13NO3S — CID 110714108

IUPAC5-methoxy-1-methylsulfonyl-2,3-dihydroindole
SMILESCOc1ccc2c(c1)CCN2S(C)(=O)=O
InChIInChI=1S/C10H13NO3S/c1-14-9-3-4-10-8(7-9)5-6-11(10)15(2,12)13/h3-4,7H,5-6H2,1-2H3
InChIKeyGOVFAWDBKHBONM-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.02
Rot. Bonds2

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

5-methoxy-1-methylsulfonyl-2,3-dihydroindole (PubChem CID 110714108) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is 5-methoxy-1-methylsulfonyl-2,3-dihydroindole.

Molecular Properties

Compound Name5-methoxy-1-methylsulfonyl-2,3-dihydroindole
PubChem CID110714108
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC Name5-methoxy-1-methylsulfonyl-2,3-dihydroindole
SMILESCOc1ccc2c(c1)CCN2S(C)(=O)=O
InChIInChI=1S/C10H13NO3S/c1-14-9-3-4-10-8(7-9)5-6-11(10)15(2,12)13/h3-4,7H,5-6H2,1-2H3
InChIKeyGOVFAWDBKHBONM-UHFFFAOYSA-N
XLogP1.02
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-2-methyl-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzenesulfonamide
CID 112506210
1-butylsulfonyl-5-methoxy-2,3-dihydroindole
CID 110714111
5-methoxy-1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-2,3-dihydroindole
CID 110714127
5-fluoro-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole
CID 3575663
1-(2,4-dimethoxyphenyl)sulfonyl-5-fluoro-2,3-dihydroindole
CID 110714003
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-methoxy-2,3-dihydroindole
CID 56800307
1-[(2-chlorophenyl)methylsulfonyl]-5-methoxy-2,3-dihydroindole
CID 110714138
1-methylsulfonyl-5-nitro-2,3-dihydroindole
CID 2918213
1-(1-methylsulfonyl-2,3-dihydroindol-5-yl)propan-2-amine
CID 82341039
N-(4-methoxyphenyl)-1-methylsulfonyl-N-(thiophen-2-ylmethyl)-2,3-dihydroindole-5-carboxamide
CID 55383347
2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119310079
(1-methylsulfonyl-2,3-dihydroindol-5-yl)-pyrrolidin-1-ylmethanone
CID 4267246

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-methylsulfonyl-2,3-dihydroindole?
The IUPAC name of 5-methoxy-1-methylsulfonyl-2,3-dihydroindole (CID 110714108) is 5-methoxy-1-methylsulfonyl-2,3-dihydroindole.
What is the SMILES notation for 5-methoxy-1-methylsulfonyl-2,3-dihydroindole?
The canonical SMILES for 5-methoxy-1-methylsulfonyl-2,3-dihydroindole is COc1ccc2c(c1)CCN2S(C)(=O)=O.
What is the InChIKey of 5-methoxy-1-methylsulfonyl-2,3-dihydroindole?
The InChIKey is GOVFAWDBKHBONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-14-9-3-4-10-8(7-9)5-6-11(10)15(2,12)13/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 5-methoxy-1-methylsulfonyl-2,3-dihydroindole?
5-methoxy-1-methylsulfonyl-2,3-dihydroindole has a molecular weight of 227.28 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-methylsulfonyl-2,3-dihydroindole is sourced from PubChem (CID 110714108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).