2-[5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxypyrazin-2-yl]sulfanylacetamide

C13H12Cl2N4O4S2 — CID 59168102

IUPAC2-[5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxypyrazin-2-yl]sulfanylacetamide
SMILESCOc1nc(SCC(N)=O)cnc1NS(=O)(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H12Cl2N4O4S2/c1-23-13-12(17-5-10(18-13)24-6-9(16)20)19-25(21,22)8-4-2-3-7(14)11(8)15/h2-5H,6H2,1H3,(H2,16,20)(H,17,19)
InChIKeyMFXYKKDKEXDDFL-UHFFFAOYSA-N
MW423.30 g/mol
LogP2.17
Rot. Bonds7

About 2-[5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxypyrazin-2-yl]sulfanylacetamide

2-[5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxypyrazin-2-yl]sulfanylacetamide (PubChem CID 59168102) has the molecular formula C13H12Cl2N4O4S2 and a molecular weight of 423.30 g/mol. Its IUPAC name is 2-[5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxypyrazin-2-yl]sulfanylacetamide.

Molecular Properties

Compound Name2-[5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxypyrazin-2-yl]sulfanylacetamide
PubChem CID59168102
Molecular FormulaC13H12Cl2N4O4S2
Molecular Weight423.30 g/mol
Exact Mass421.97
IUPAC Name2-[5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxypyrazin-2-yl]sulfanylacetamide
SMILESCOc1nc(SCC(N)=O)cnc1NS(=O)(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H12Cl2N4O4S2/c1-23-13-12(17-5-10(18-13)24-6-9(16)20)19-25(21,22)8-4-2-3-7(14)11(8)15/h2-5H,6H2,1H3,(H2,16,20)(H,17,19)
InChIKeyMFXYKKDKEXDDFL-UHFFFAOYSA-N
XLogP2.17
TPSA124.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.30
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxypyrazin-2-yl]sulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxypyrazin-2-yl]sulfanylacetamide?
The IUPAC name of 2-[5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxypyrazin-2-yl]sulfanylacetamide (CID 59168102) is 2-[5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxypyrazin-2-yl]sulfanylacetamide.
What is the SMILES notation for 2-[5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxypyrazin-2-yl]sulfanylacetamide?
The canonical SMILES for 2-[5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxypyrazin-2-yl]sulfanylacetamide is COc1nc(SCC(N)=O)cnc1NS(=O)(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of 2-[5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxypyrazin-2-yl]sulfanylacetamide?
The InChIKey is MFXYKKDKEXDDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N4O4S2/c1-23-13-12(17-5-10(18-13)24-6-9(16)20)19-25(21,22)8-4-2-3-7(14)11(8)15/h2-5H,6H2,1H3,(H2,16,20)(H,17,19).
What are the key properties of 2-[5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxypyrazin-2-yl]sulfanylacetamide?
2-[5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxypyrazin-2-yl]sulfanylacetamide has a molecular weight of 423.30 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxypyrazin-2-yl]sulfanylacetamide is sourced from PubChem (CID 59168102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).