5-chloro-1-phenyl-3-phenylsulfanylindole

C20H14ClNS — CID 69091437

IUPAC5-chloro-1-phenyl-3-phenylsulfanylindole
SMILESClc1ccc2c(c1)c(Sc1ccccc1)cn2-c1ccccc1
InChIInChI=1S/C20H14ClNS/c21-15-11-12-19-18(13-15)20(23-17-9-5-2-6-10-17)14-22(19)16-7-3-1-4-8-16/h1-14H
InChIKeyJHWBSSIXKUKPFJ-UHFFFAOYSA-N
MW335.86 g/mol
LogP6.44
Rot. Bonds3

About 5-chloro-1-phenyl-3-phenylsulfanylindole

5-chloro-1-phenyl-3-phenylsulfanylindole (PubChem CID 69091437) has the molecular formula C20H14ClNS and a molecular weight of 335.86 g/mol. Its IUPAC name is 5-chloro-1-phenyl-3-phenylsulfanylindole.

Molecular Properties

Compound Name5-chloro-1-phenyl-3-phenylsulfanylindole
PubChem CID69091437
Molecular FormulaC20H14ClNS
Molecular Weight335.86 g/mol
Exact Mass335.05
IUPAC Name5-chloro-1-phenyl-3-phenylsulfanylindole
SMILESClc1ccc2c(c1)c(Sc1ccccc1)cn2-c1ccccc1
InChIInChI=1S/C20H14ClNS/c21-15-11-12-19-18(13-15)20(23-17-9-5-2-6-10-17)14-22(19)16-7-3-1-4-8-16/h1-14H
InChIKeyJHWBSSIXKUKPFJ-UHFFFAOYSA-N
XLogP6.44
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.86
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-phenyl-3-phenylsulfanylindole?
The IUPAC name of 5-chloro-1-phenyl-3-phenylsulfanylindole (CID 69091437) is 5-chloro-1-phenyl-3-phenylsulfanylindole.
What is the SMILES notation for 5-chloro-1-phenyl-3-phenylsulfanylindole?
The canonical SMILES for 5-chloro-1-phenyl-3-phenylsulfanylindole is Clc1ccc2c(c1)c(Sc1ccccc1)cn2-c1ccccc1.
What is the InChIKey of 5-chloro-1-phenyl-3-phenylsulfanylindole?
The InChIKey is JHWBSSIXKUKPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClNS/c21-15-11-12-19-18(13-15)20(23-17-9-5-2-6-10-17)14-22(19)16-7-3-1-4-8-16/h1-14H.
What are the key properties of 5-chloro-1-phenyl-3-phenylsulfanylindole?
5-chloro-1-phenyl-3-phenylsulfanylindole has a molecular weight of 335.86 g/mol, XLogP of 6.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-phenyl-3-phenylsulfanylindole is sourced from PubChem (CID 69091437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).