4-methoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole

C16H17NO3S — CID 22141547

IUPAC4-methoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole
SMILESCOc1cccc2c1CCN2S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H17NO3S/c1-12-6-8-13(9-7-12)21(18,19)17-11-10-14-15(17)4-3-5-16(14)20-2/h3-9H,10-11H2,1-2H3
InChIKeyPJLJNEDLTSFLFP-UHFFFAOYSA-N
MW303.38 g/mol
LogP2.76
Rot. Bonds3

About 4-methoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole

4-methoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole (PubChem CID 22141547) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is 4-methoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole.

Molecular Properties

Compound Name4-methoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole
PubChem CID22141547
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Name4-methoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole
SMILESCOc1cccc2c1CCN2S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H17NO3S/c1-12-6-8-13(9-7-12)21(18,19)17-11-10-14-15(17)4-3-5-16(14)20-2/h3-9H,10-11H2,1-2H3
InChIKeyPJLJNEDLTSFLFP-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole?
The IUPAC name of 4-methoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole (CID 22141547) is 4-methoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole.
What is the SMILES notation for 4-methoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole?
The canonical SMILES for 4-methoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole is COc1cccc2c1CCN2S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 4-methoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole?
The InChIKey is PJLJNEDLTSFLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c1-12-6-8-13(9-7-12)21(18,19)17-11-10-14-15(17)4-3-5-16(14)20-2/h3-9H,10-11H2,1-2H3.
What are the key properties of 4-methoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole?
4-methoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole has a molecular weight of 303.38 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole is sourced from PubChem (CID 22141547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).