6-methoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydrobenzo[f]indole

C20H19NO3S — CID 154714887

IUPAC6-methoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydrobenzo[f]indole
SMILESCOc1ccc2cc3c(cc2c1)CCN3S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C20H19NO3S/c1-14-3-7-19(8-4-14)25(22,23)21-10-9-16-11-17-12-18(24-2)6-5-15(17)13-20(16)21/h3-8,11-13H,9-10H2,1-2H3
InChIKeyWFJPYOZYMCLAFI-UHFFFAOYSA-N
MW353.44 g/mol
LogP3.91
Rot. Bonds3

About 6-methoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydrobenzo[f]indole

6-methoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydrobenzo[f]indole (PubChem CID 154714887) has the molecular formula C20H19NO3S and a molecular weight of 353.44 g/mol. Its IUPAC name is 6-methoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydrobenzo[f]indole.

Molecular Properties

Compound Name6-methoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydrobenzo[f]indole
PubChem CID154714887
Molecular FormulaC20H19NO3S
Molecular Weight353.44 g/mol
Exact Mass353.11
IUPAC Name6-methoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydrobenzo[f]indole
SMILESCOc1ccc2cc3c(cc2c1)CCN3S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C20H19NO3S/c1-14-3-7-19(8-4-14)25(22,23)21-10-9-16-11-17-12-18(24-2)6-5-15(17)13-20(16)21/h3-8,11-13H,9-10H2,1-2H3
InChIKeyWFJPYOZYMCLAFI-UHFFFAOYSA-N
XLogP3.91
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydrobenzo[f]indole?
The IUPAC name of 6-methoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydrobenzo[f]indole (CID 154714887) is 6-methoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydrobenzo[f]indole.
What is the SMILES notation for 6-methoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydrobenzo[f]indole?
The canonical SMILES for 6-methoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydrobenzo[f]indole is COc1ccc2cc3c(cc2c1)CCN3S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 6-methoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydrobenzo[f]indole?
The InChIKey is WFJPYOZYMCLAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3S/c1-14-3-7-19(8-4-14)25(22,23)21-10-9-16-11-17-12-18(24-2)6-5-15(17)13-20(16)21/h3-8,11-13H,9-10H2,1-2H3.
What are the key properties of 6-methoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydrobenzo[f]indole?
6-methoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydrobenzo[f]indole has a molecular weight of 353.44 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydrobenzo[f]indole is sourced from PubChem (CID 154714887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).