2-chloro-5-phenoxy-3-phenylsulfanylpyrazine

C16H11ClN2OS — CID 88783098

IUPAC2-chloro-5-phenoxy-3-phenylsulfanylpyrazine
SMILESClc1ncc(Oc2ccccc2)nc1Sc1ccccc1
InChIInChI=1S/C16H11ClN2OS/c17-15-16(21-13-9-5-2-6-10-13)19-14(11-18-15)20-12-7-3-1-4-8-12/h1-11H
InChIKeyZVVZZYJCHDWSHN-UHFFFAOYSA-N
MW314.80 g/mol
LogP5.07
Rot. Bonds4

About 2-chloro-5-phenoxy-3-phenylsulfanylpyrazine

2-chloro-5-phenoxy-3-phenylsulfanylpyrazine (PubChem CID 88783098) has the molecular formula C16H11ClN2OS and a molecular weight of 314.80 g/mol. Its IUPAC name is 2-chloro-5-phenoxy-3-phenylsulfanylpyrazine.

Molecular Properties

Compound Name2-chloro-5-phenoxy-3-phenylsulfanylpyrazine
PubChem CID88783098
Molecular FormulaC16H11ClN2OS
Molecular Weight314.80 g/mol
Exact Mass314.03
IUPAC Name2-chloro-5-phenoxy-3-phenylsulfanylpyrazine
SMILESClc1ncc(Oc2ccccc2)nc1Sc1ccccc1
InChIInChI=1S/C16H11ClN2OS/c17-15-16(21-13-9-5-2-6-10-13)19-14(11-18-15)20-12-7-3-1-4-8-12/h1-11H
InChIKeyZVVZZYJCHDWSHN-UHFFFAOYSA-N
XLogP5.07
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.80
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-phenoxy-3-phenylsulfanylpyrazine?
The IUPAC name of 2-chloro-5-phenoxy-3-phenylsulfanylpyrazine (CID 88783098) is 2-chloro-5-phenoxy-3-phenylsulfanylpyrazine.
What is the SMILES notation for 2-chloro-5-phenoxy-3-phenylsulfanylpyrazine?
The canonical SMILES for 2-chloro-5-phenoxy-3-phenylsulfanylpyrazine is Clc1ncc(Oc2ccccc2)nc1Sc1ccccc1.
What is the InChIKey of 2-chloro-5-phenoxy-3-phenylsulfanylpyrazine?
The InChIKey is ZVVZZYJCHDWSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2OS/c17-15-16(21-13-9-5-2-6-10-13)19-14(11-18-15)20-12-7-3-1-4-8-12/h1-11H.
What are the key properties of 2-chloro-5-phenoxy-3-phenylsulfanylpyrazine?
2-chloro-5-phenoxy-3-phenylsulfanylpyrazine has a molecular weight of 314.80 g/mol, XLogP of 5.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-phenoxy-3-phenylsulfanylpyrazine is sourced from PubChem (CID 88783098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).