2-[1-(4-chlorophenyl)sulfonylpyrrol-3-yl]quinoxaline

C18H12ClN3O2S — CID 2800198

IUPAC2-[1-(4-chlorophenyl)sulfonylpyrrol-3-yl]quinoxaline
SMILESO=S(=O)(c1ccc(Cl)cc1)n1ccc(-c2cnc3ccccc3n2)c1
InChIInChI=1S/C18H12ClN3O2S/c19-14-5-7-15(8-6-14)25(23,24)22-10-9-13(12-22)18-11-20-16-3-1-2-4-17(16)21-18/h1-12H
InChIKeyOTWVUBYTKJKBBP-UHFFFAOYSA-N
MW369.83 g/mol
LogP3.99
Rot. Bonds3

About 2-[1-(4-chlorophenyl)sulfonylpyrrol-3-yl]quinoxaline

2-[1-(4-chlorophenyl)sulfonylpyrrol-3-yl]quinoxaline (PubChem CID 2800198) has the molecular formula C18H12ClN3O2S and a molecular weight of 369.83 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)sulfonylpyrrol-3-yl]quinoxaline.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)sulfonylpyrrol-3-yl]quinoxaline
PubChem CID2800198
Molecular FormulaC18H12ClN3O2S
Molecular Weight369.83 g/mol
Exact Mass369.03
IUPAC Name2-[1-(4-chlorophenyl)sulfonylpyrrol-3-yl]quinoxaline
SMILESO=S(=O)(c1ccc(Cl)cc1)n1ccc(-c2cnc3ccccc3n2)c1
InChIInChI=1S/C18H12ClN3O2S/c19-14-5-7-15(8-6-14)25(23,24)22-10-9-13(12-22)18-11-20-16-3-1-2-4-17(16)21-18/h1-12H
InChIKeyOTWVUBYTKJKBBP-UHFFFAOYSA-N
XLogP3.99
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.83
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)sulfonylpyrrol-3-yl]quinoxaline?
The IUPAC name of 2-[1-(4-chlorophenyl)sulfonylpyrrol-3-yl]quinoxaline (CID 2800198) is 2-[1-(4-chlorophenyl)sulfonylpyrrol-3-yl]quinoxaline.
What is the SMILES notation for 2-[1-(4-chlorophenyl)sulfonylpyrrol-3-yl]quinoxaline?
The canonical SMILES for 2-[1-(4-chlorophenyl)sulfonylpyrrol-3-yl]quinoxaline is O=S(=O)(c1ccc(Cl)cc1)n1ccc(-c2cnc3ccccc3n2)c1.
What is the InChIKey of 2-[1-(4-chlorophenyl)sulfonylpyrrol-3-yl]quinoxaline?
The InChIKey is OTWVUBYTKJKBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3O2S/c19-14-5-7-15(8-6-14)25(23,24)22-10-9-13(12-22)18-11-20-16-3-1-2-4-17(16)21-18/h1-12H.
What are the key properties of 2-[1-(4-chlorophenyl)sulfonylpyrrol-3-yl]quinoxaline?
2-[1-(4-chlorophenyl)sulfonylpyrrol-3-yl]quinoxaline has a molecular weight of 369.83 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)sulfonylpyrrol-3-yl]quinoxaline is sourced from PubChem (CID 2800198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).