2,4,6-trichloro-N-(3-chloropyrazin-2-yl)benzenesulfonamide

C10H5Cl4N3O2S — CID 102989994

IUPAC2,4,6-trichloro-N-(3-chloropyrazin-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nccnc1Cl)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C10H5Cl4N3O2S/c11-5-3-6(12)8(7(13)4-5)20(18,19)17-10-9(14)15-1-2-16-10/h1-4H,(H,16,17)
InChIKeyJKMCJXIXAHXHQY-UHFFFAOYSA-N
MW373.05 g/mol
LogP3.89
Rot. Bonds3

About 2,4,6-trichloro-N-(3-chloropyrazin-2-yl)benzenesulfonamide

2,4,6-trichloro-N-(3-chloropyrazin-2-yl)benzenesulfonamide (PubChem CID 102989994) has the molecular formula C10H5Cl4N3O2S and a molecular weight of 373.05 g/mol. Its IUPAC name is 2,4,6-trichloro-N-(3-chloropyrazin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trichloro-N-(3-chloropyrazin-2-yl)benzenesulfonamide
PubChem CID102989994
Molecular FormulaC10H5Cl4N3O2S
Molecular Weight373.05 g/mol
Exact Mass370.89
IUPAC Name2,4,6-trichloro-N-(3-chloropyrazin-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nccnc1Cl)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C10H5Cl4N3O2S/c11-5-3-6(12)8(7(13)4-5)20(18,19)17-10-9(14)15-1-2-16-10/h1-4H,(H,16,17)
InChIKeyJKMCJXIXAHXHQY-UHFFFAOYSA-N
XLogP3.89
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.05
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichloro-N-(3-chloropyrazin-2-yl)benzenesulfonamide?
The IUPAC name of 2,4,6-trichloro-N-(3-chloropyrazin-2-yl)benzenesulfonamide (CID 102989994) is 2,4,6-trichloro-N-(3-chloropyrazin-2-yl)benzenesulfonamide.
What is the SMILES notation for 2,4,6-trichloro-N-(3-chloropyrazin-2-yl)benzenesulfonamide?
The canonical SMILES for 2,4,6-trichloro-N-(3-chloropyrazin-2-yl)benzenesulfonamide is O=S(=O)(Nc1nccnc1Cl)c1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 2,4,6-trichloro-N-(3-chloropyrazin-2-yl)benzenesulfonamide?
The InChIKey is JKMCJXIXAHXHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl4N3O2S/c11-5-3-6(12)8(7(13)4-5)20(18,19)17-10-9(14)15-1-2-16-10/h1-4H,(H,16,17).
What are the key properties of 2,4,6-trichloro-N-(3-chloropyrazin-2-yl)benzenesulfonamide?
2,4,6-trichloro-N-(3-chloropyrazin-2-yl)benzenesulfonamide has a molecular weight of 373.05 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichloro-N-(3-chloropyrazin-2-yl)benzenesulfonamide is sourced from PubChem (CID 102989994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).