3-chloro-5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxypyrazine-2-carboxylic acid

C12H8Cl3N3O5S — CID 87284462

IUPAC3-chloro-5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxypyrazine-2-carboxylic acid
SMILESCOc1nc(C(=O)O)c(Cl)nc1NS(=O)(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C12H8Cl3N3O5S/c1-23-11-10(17-9(15)8(16-11)12(19)20)18-24(21,22)6-4-2-3-5(13)7(6)14/h2-4H,1H3,(H,17,18)(H,19,20)
InChIKeyIBQBDAMYZWOGKE-UHFFFAOYSA-N
MW412.64 g/mol
LogP2.94
Rot. Bonds5

About 3-chloro-5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxypyrazine-2-carboxylic acid

3-chloro-5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxypyrazine-2-carboxylic acid (PubChem CID 87284462) has the molecular formula C12H8Cl3N3O5S and a molecular weight of 412.64 g/mol. Its IUPAC name is 3-chloro-5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxypyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-chloro-5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxypyrazine-2-carboxylic acid
PubChem CID87284462
Molecular FormulaC12H8Cl3N3O5S
Molecular Weight412.64 g/mol
Exact Mass410.93
IUPAC Name3-chloro-5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxypyrazine-2-carboxylic acid
SMILESCOc1nc(C(=O)O)c(Cl)nc1NS(=O)(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C12H8Cl3N3O5S/c1-23-11-10(17-9(15)8(16-11)12(19)20)18-24(21,22)6-4-2-3-5(13)7(6)14/h2-4H,1H3,(H,17,18)(H,19,20)
InChIKeyIBQBDAMYZWOGKE-UHFFFAOYSA-N
XLogP2.94
TPSA118.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.64
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxypyrazine-2-carboxylic acid?
The IUPAC name of 3-chloro-5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxypyrazine-2-carboxylic acid (CID 87284462) is 3-chloro-5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxypyrazine-2-carboxylic acid.
What is the SMILES notation for 3-chloro-5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxypyrazine-2-carboxylic acid?
The canonical SMILES for 3-chloro-5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxypyrazine-2-carboxylic acid is COc1nc(C(=O)O)c(Cl)nc1NS(=O)(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of 3-chloro-5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxypyrazine-2-carboxylic acid?
The InChIKey is IBQBDAMYZWOGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl3N3O5S/c1-23-11-10(17-9(15)8(16-11)12(19)20)18-24(21,22)6-4-2-3-5(13)7(6)14/h2-4H,1H3,(H,17,18)(H,19,20).
What are the key properties of 3-chloro-5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxypyrazine-2-carboxylic acid?
3-chloro-5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxypyrazine-2-carboxylic acid has a molecular weight of 412.64 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxypyrazine-2-carboxylic acid is sourced from PubChem (CID 87284462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).