5-indol-1-yl-1-(4-methylphenyl)sulfonylindole

C23H18N2O2S — CID 177408616

IUPAC5-indol-1-yl-1-(4-methylphenyl)sulfonylindole
SMILESCc1ccc(S(=O)(=O)n2ccc3cc(-n4ccc5ccccc54)ccc32)cc1
InChIInChI=1S/C23H18N2O2S/c1-17-6-9-21(10-7-17)28(26,27)25-15-13-19-16-20(8-11-23(19)25)24-14-12-18-4-2-3-5-22(18)24/h2-16H,1H3
InChIKeyGXSCIYXUMBACHK-UHFFFAOYSA-N
MW386.48 g/mol
LogP5.13
Rot. Bonds3

About 5-indol-1-yl-1-(4-methylphenyl)sulfonylindole

5-indol-1-yl-1-(4-methylphenyl)sulfonylindole (PubChem CID 177408616) has the molecular formula C23H18N2O2S and a molecular weight of 386.48 g/mol. Its IUPAC name is 5-indol-1-yl-1-(4-methylphenyl)sulfonylindole.

Molecular Properties

Compound Name5-indol-1-yl-1-(4-methylphenyl)sulfonylindole
PubChem CID177408616
Molecular FormulaC23H18N2O2S
Molecular Weight386.48 g/mol
Exact Mass386.11
IUPAC Name5-indol-1-yl-1-(4-methylphenyl)sulfonylindole
SMILESCc1ccc(S(=O)(=O)n2ccc3cc(-n4ccc5ccccc54)ccc32)cc1
InChIInChI=1S/C23H18N2O2S/c1-17-6-9-21(10-7-17)28(26,27)25-15-13-19-16-20(8-11-23(19)25)24-14-12-18-4-2-3-5-22(18)24/h2-16H,1H3
InChIKeyGXSCIYXUMBACHK-UHFFFAOYSA-N
XLogP5.13
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.48
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-indol-1-yl-1-(4-methylphenyl)sulfonylindole?
The IUPAC name of 5-indol-1-yl-1-(4-methylphenyl)sulfonylindole (CID 177408616) is 5-indol-1-yl-1-(4-methylphenyl)sulfonylindole.
What is the SMILES notation for 5-indol-1-yl-1-(4-methylphenyl)sulfonylindole?
The canonical SMILES for 5-indol-1-yl-1-(4-methylphenyl)sulfonylindole is Cc1ccc(S(=O)(=O)n2ccc3cc(-n4ccc5ccccc54)ccc32)cc1.
What is the InChIKey of 5-indol-1-yl-1-(4-methylphenyl)sulfonylindole?
The InChIKey is GXSCIYXUMBACHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O2S/c1-17-6-9-21(10-7-17)28(26,27)25-15-13-19-16-20(8-11-23(19)25)24-14-12-18-4-2-3-5-22(18)24/h2-16H,1H3.
What are the key properties of 5-indol-1-yl-1-(4-methylphenyl)sulfonylindole?
5-indol-1-yl-1-(4-methylphenyl)sulfonylindole has a molecular weight of 386.48 g/mol, XLogP of 5.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-indol-1-yl-1-(4-methylphenyl)sulfonylindole is sourced from PubChem (CID 177408616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).