1-(5-methoxy-2-methylphenyl)sulfonyl-2,3-dihydro-1H-isoindole

C16H17NO3S — CID 69499811

IUPAC1-(5-methoxy-2-methylphenyl)sulfonyl-2,3-dihydro-1H-isoindole
SMILESCOc1ccc(C)c(S(=O)(=O)C2NCc3ccccc32)c1
InChIInChI=1S/C16H17NO3S/c1-11-7-8-13(20-2)9-15(11)21(18,19)16-14-6-4-3-5-12(14)10-17-16/h3-9,16-17H,10H2,1-2H3
InChIKeySNAYUZOVFUUHAN-UHFFFAOYSA-N
MW303.38 g/mol
LogP2.58
Rot. Bonds3

About 1-(5-methoxy-2-methylphenyl)sulfonyl-2,3-dihydro-1H-isoindole

1-(5-methoxy-2-methylphenyl)sulfonyl-2,3-dihydro-1H-isoindole (PubChem CID 69499811) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is 1-(5-methoxy-2-methylphenyl)sulfonyl-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name1-(5-methoxy-2-methylphenyl)sulfonyl-2,3-dihydro-1H-isoindole
PubChem CID69499811
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Name1-(5-methoxy-2-methylphenyl)sulfonyl-2,3-dihydro-1H-isoindole
SMILESCOc1ccc(C)c(S(=O)(=O)C2NCc3ccccc32)c1
InChIInChI=1S/C16H17NO3S/c1-11-7-8-13(20-2)9-15(11)21(18,19)16-14-6-4-3-5-12(14)10-17-16/h3-9,16-17H,10H2,1-2H3
InChIKeySNAYUZOVFUUHAN-UHFFFAOYSA-N
XLogP2.58
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-2-methylphenyl)sulfonyl-2,3-dihydro-1H-isoindole?
The IUPAC name of 1-(5-methoxy-2-methylphenyl)sulfonyl-2,3-dihydro-1H-isoindole (CID 69499811) is 1-(5-methoxy-2-methylphenyl)sulfonyl-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 1-(5-methoxy-2-methylphenyl)sulfonyl-2,3-dihydro-1H-isoindole?
The canonical SMILES for 1-(5-methoxy-2-methylphenyl)sulfonyl-2,3-dihydro-1H-isoindole is COc1ccc(C)c(S(=O)(=O)C2NCc3ccccc32)c1.
What is the InChIKey of 1-(5-methoxy-2-methylphenyl)sulfonyl-2,3-dihydro-1H-isoindole?
The InChIKey is SNAYUZOVFUUHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c1-11-7-8-13(20-2)9-15(11)21(18,19)16-14-6-4-3-5-12(14)10-17-16/h3-9,16-17H,10H2,1-2H3.
What are the key properties of 1-(5-methoxy-2-methylphenyl)sulfonyl-2,3-dihydro-1H-isoindole?
1-(5-methoxy-2-methylphenyl)sulfonyl-2,3-dihydro-1H-isoindole has a molecular weight of 303.38 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-2-methylphenyl)sulfonyl-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 69499811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).