1-(4-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole

C16H17NO3S — CID 2989329

IUPAC1-(4-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole
SMILESCOc1ccc(S(=O)(=O)N2c3ccccc3CC2C)cc1
InChIInChI=1S/C16H17NO3S/c1-12-11-13-5-3-4-6-16(13)17(12)21(18,19)15-9-7-14(20-2)8-10-15/h3-10,12H,11H2,1-2H3
InChIKeyLCCAMULFXUTFBA-UHFFFAOYSA-N
MW303.38 g/mol
LogP2.84
Rot. Bonds3

About 1-(4-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole

1-(4-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole (PubChem CID 2989329) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole
PubChem CID2989329
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Name1-(4-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole
SMILESCOc1ccc(S(=O)(=O)N2c3ccccc3CC2C)cc1
InChIInChI=1S/C16H17NO3S/c1-12-11-13-5-3-4-6-16(13)17(12)21(18,19)15-9-7-14(20-2)8-10-15/h3-10,12H,11H2,1-2H3
InChIKeyLCCAMULFXUTFBA-UHFFFAOYSA-N
XLogP2.84
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole (CID 2989329) is 1-(4-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole is COc1ccc(S(=O)(=O)N2c3ccccc3CC2C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole?
The InChIKey is LCCAMULFXUTFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c1-12-11-13-5-3-4-6-16(13)17(12)21(18,19)15-9-7-14(20-2)8-10-15/h3-10,12H,11H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole?
1-(4-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole has a molecular weight of 303.38 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole is sourced from PubChem (CID 2989329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).