7-methoxy-1-(4-methylphenyl)sulfonylindole

C16H15NO3S — CID 59468841

IUPAC7-methoxy-1-(4-methylphenyl)sulfonylindole
SMILESCOc1cccc2ccn(S(=O)(=O)c3ccc(C)cc3)c12
InChIInChI=1S/C16H15NO3S/c1-12-6-8-14(9-7-12)21(18,19)17-11-10-13-4-3-5-15(20-2)16(13)17/h3-11H,1-2H3
InChIKeyCYWSIHZHXFSHCA-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.20
Rot. Bonds3

About 7-methoxy-1-(4-methylphenyl)sulfonylindole

7-methoxy-1-(4-methylphenyl)sulfonylindole (PubChem CID 59468841) has the molecular formula C16H15NO3S and a molecular weight of 301.37 g/mol. Its IUPAC name is 7-methoxy-1-(4-methylphenyl)sulfonylindole.

Molecular Properties

Compound Name7-methoxy-1-(4-methylphenyl)sulfonylindole
PubChem CID59468841
Molecular FormulaC16H15NO3S
Molecular Weight301.37 g/mol
Exact Mass301.08
IUPAC Name7-methoxy-1-(4-methylphenyl)sulfonylindole
SMILESCOc1cccc2ccn(S(=O)(=O)c3ccc(C)cc3)c12
InChIInChI=1S/C16H15NO3S/c1-12-6-8-14(9-7-12)21(18,19)17-11-10-13-4-3-5-15(20-2)16(13)17/h3-11H,1-2H3
InChIKeyCYWSIHZHXFSHCA-UHFFFAOYSA-N
XLogP3.20
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-(4-methylphenyl)sulfonylindole?
The IUPAC name of 7-methoxy-1-(4-methylphenyl)sulfonylindole (CID 59468841) is 7-methoxy-1-(4-methylphenyl)sulfonylindole.
What is the SMILES notation for 7-methoxy-1-(4-methylphenyl)sulfonylindole?
The canonical SMILES for 7-methoxy-1-(4-methylphenyl)sulfonylindole is COc1cccc2ccn(S(=O)(=O)c3ccc(C)cc3)c12.
What is the InChIKey of 7-methoxy-1-(4-methylphenyl)sulfonylindole?
The InChIKey is CYWSIHZHXFSHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3S/c1-12-6-8-14(9-7-12)21(18,19)17-11-10-13-4-3-5-15(20-2)16(13)17/h3-11H,1-2H3.
What are the key properties of 7-methoxy-1-(4-methylphenyl)sulfonylindole?
7-methoxy-1-(4-methylphenyl)sulfonylindole has a molecular weight of 301.37 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-(4-methylphenyl)sulfonylindole is sourced from PubChem (CID 59468841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).