[1-(4-chlorophenyl)sulfanylindol-2-yl]-pyridin-4-ylmethanone

C20H13ClN2OS — CID 142404060

IUPAC[1-(4-chlorophenyl)sulfanylindol-2-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)c1cc2ccccc2n1Sc1ccc(Cl)cc1
InChIInChI=1S/C20H13ClN2OS/c21-16-5-7-17(8-6-16)25-23-18-4-2-1-3-15(18)13-19(23)20(24)14-9-11-22-12-10-14/h1-13H
InChIKeyULUNHYLKWITLGX-UHFFFAOYSA-N
MW364.86 g/mol
LogP5.48
Rot. Bonds4

About [1-(4-chlorophenyl)sulfanylindol-2-yl]-pyridin-4-ylmethanone

[1-(4-chlorophenyl)sulfanylindol-2-yl]-pyridin-4-ylmethanone (PubChem CID 142404060) has the molecular formula C20H13ClN2OS and a molecular weight of 364.86 g/mol. Its IUPAC name is [1-(4-chlorophenyl)sulfanylindol-2-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[1-(4-chlorophenyl)sulfanylindol-2-yl]-pyridin-4-ylmethanone
PubChem CID142404060
Molecular FormulaC20H13ClN2OS
Molecular Weight364.86 g/mol
Exact Mass364.04
IUPAC Name[1-(4-chlorophenyl)sulfanylindol-2-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)c1cc2ccccc2n1Sc1ccc(Cl)cc1
InChIInChI=1S/C20H13ClN2OS/c21-16-5-7-17(8-6-16)25-23-18-4-2-1-3-15(18)13-19(23)20(24)14-9-11-22-12-10-14/h1-13H
InChIKeyULUNHYLKWITLGX-UHFFFAOYSA-N
XLogP5.48
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.86
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)sulfanylindol-2-yl]-pyridin-4-ylmethanone?
The IUPAC name of [1-(4-chlorophenyl)sulfanylindol-2-yl]-pyridin-4-ylmethanone (CID 142404060) is [1-(4-chlorophenyl)sulfanylindol-2-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [1-(4-chlorophenyl)sulfanylindol-2-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [1-(4-chlorophenyl)sulfanylindol-2-yl]-pyridin-4-ylmethanone is O=C(c1ccncc1)c1cc2ccccc2n1Sc1ccc(Cl)cc1.
What is the InChIKey of [1-(4-chlorophenyl)sulfanylindol-2-yl]-pyridin-4-ylmethanone?
The InChIKey is ULUNHYLKWITLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN2OS/c21-16-5-7-17(8-6-16)25-23-18-4-2-1-3-15(18)13-19(23)20(24)14-9-11-22-12-10-14/h1-13H.
What are the key properties of [1-(4-chlorophenyl)sulfanylindol-2-yl]-pyridin-4-ylmethanone?
[1-(4-chlorophenyl)sulfanylindol-2-yl]-pyridin-4-ylmethanone has a molecular weight of 364.86 g/mol, XLogP of 5.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)sulfanylindol-2-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 142404060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).