7-(4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole

C22H21NO4S — CID 66757941

IUPAC7-(4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole
SMILESCOc1ccc(-c2cccc3c2N(S(=O)(=O)c2ccc(OC)cc2)CC3)cc1
InChIInChI=1S/C22H21NO4S/c1-26-18-8-6-16(7-9-18)21-5-3-4-17-14-15-23(22(17)21)28(24,25)20-12-10-19(27-2)11-13-20/h3-13H,14-15H2,1-2H3
InChIKeyMKPOOXRXNRCNPU-UHFFFAOYSA-N
MW395.48 g/mol
LogP4.12
Rot. Bonds5

About 7-(4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole

7-(4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole (PubChem CID 66757941) has the molecular formula C22H21NO4S and a molecular weight of 395.48 g/mol. Its IUPAC name is 7-(4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole.

Molecular Properties

Compound Name7-(4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole
PubChem CID66757941
Molecular FormulaC22H21NO4S
Molecular Weight395.48 g/mol
Exact Mass395.12
IUPAC Name7-(4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole
SMILESCOc1ccc(-c2cccc3c2N(S(=O)(=O)c2ccc(OC)cc2)CC3)cc1
InChIInChI=1S/C22H21NO4S/c1-26-18-8-6-16(7-9-18)21-5-3-4-17-14-15-23(22(17)21)28(24,25)20-12-10-19(27-2)11-13-20/h3-13H,14-15H2,1-2H3
InChIKeyMKPOOXRXNRCNPU-UHFFFAOYSA-N
XLogP4.12
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole?
The IUPAC name of 7-(4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole (CID 66757941) is 7-(4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole.
What is the SMILES notation for 7-(4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole?
The canonical SMILES for 7-(4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole is COc1ccc(-c2cccc3c2N(S(=O)(=O)c2ccc(OC)cc2)CC3)cc1.
What is the InChIKey of 7-(4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole?
The InChIKey is MKPOOXRXNRCNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO4S/c1-26-18-8-6-16(7-9-18)21-5-3-4-17-14-15-23(22(17)21)28(24,25)20-12-10-19(27-2)11-13-20/h3-13H,14-15H2,1-2H3.
What are the key properties of 7-(4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole?
7-(4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole has a molecular weight of 395.48 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole is sourced from PubChem (CID 66757941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).