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

C13H9Cl2N3O7S — CID 67139114

IUPAC5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxypyrazine-2,3-dicarboxylic acid
SMILESCOc1nc(C(=O)O)c(C(=O)O)nc1NS(=O)(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H9Cl2N3O7S/c1-25-11-10(16-8(12(19)20)9(17-11)13(21)22)18-26(23,24)6-4-2-3-5(14)7(6)15/h2-4H,1H3,(H,16,18)(H,19,20)(H,21,22)
InChIKeyBMKIPBZQHCSPDO-UHFFFAOYSA-N
MW422.20 g/mol
LogP1.99
Rot. Bonds6

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

5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxypyrazine-2,3-dicarboxylic acid (PubChem CID 67139114) has the molecular formula C13H9Cl2N3O7S and a molecular weight of 422.20 g/mol. Its IUPAC name is 5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxypyrazine-2,3-dicarboxylic acid.

Molecular Properties

Compound Name5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxypyrazine-2,3-dicarboxylic acid
PubChem CID67139114
Molecular FormulaC13H9Cl2N3O7S
Molecular Weight422.20 g/mol
Exact Mass420.95
IUPAC Name5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxypyrazine-2,3-dicarboxylic acid
SMILESCOc1nc(C(=O)O)c(C(=O)O)nc1NS(=O)(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H9Cl2N3O7S/c1-25-11-10(16-8(12(19)20)9(17-11)13(21)22)18-26(23,24)6-4-2-3-5(14)7(6)15/h2-4H,1H3,(H,16,18)(H,19,20)(H,21,22)
InChIKeyBMKIPBZQHCSPDO-UHFFFAOYSA-N
XLogP1.99
TPSA155.78 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.20
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-chloro-5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxypyrazine-2-carboxylic acid
CID 87284462
N-[5,6-bis(hydroxymethyl)-3-methoxypyrazin-2-yl]-2,3-dichlorobenzenesulfonamide
CID 10309586
2,3-dichloro-N-(3-chloro-6-methoxy-1,2,4-triazin-5-yl)benzenesulfonamide
CID 11222445
N-(5-bromo-3-methoxy-6-methylpyrazin-2-yl)-2,3-dichlorobenzenesulfonamide
CID 59168221
(2R)-2-amino-3-[3-chloro-5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxypyrazin-2-yl]sulfanylpropanoic acid
CID 11179284
2,3-dichloro-N-(3-methoxy-5-methylsulfonylpyrazin-2-yl)benzenesulfonamide
CID 59168213
2,3-dichloro-N-(6-chloro-3-methoxy-5-morpholin-4-ylpyrazin-2-yl)benzenesulfonamide
CID 10310554
2,3-dichloro-N-[6-chloro-5-(3-hydroxyazetidin-1-yl)-3-methoxypyrazin-2-yl]benzenesulfonamide
CID 10194939
methyl (2R)-2-amino-3-[5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxy-3-methylpyrazin-2-yl]sulfanylpropanoate
CID 11431599
2-[5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxypyrazin-2-yl]sulfanylacetamide
CID 59168102
azane;2,3-dichloro-N-[6-chloro-5-[4-(2-hydroxyethyl)phenoxy]-3-methoxypyrazin-2-yl]benzenesulfonamide
CID 87811558
N-[5-[4-(2-amino-2-hydroxyethyl)phenoxy]-6-chloro-3-methoxypyrazin-2-yl]-2,3-dichlorobenzenesulfonamide
CID 87811784

Frequently Asked Questions

What is the IUPAC name of 5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxypyrazine-2,3-dicarboxylic acid?
The IUPAC name of 5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxypyrazine-2,3-dicarboxylic acid (CID 67139114) is 5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxypyrazine-2,3-dicarboxylic acid.
What is the SMILES notation for 5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxypyrazine-2,3-dicarboxylic acid?
The canonical SMILES for 5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxypyrazine-2,3-dicarboxylic acid is COc1nc(C(=O)O)c(C(=O)O)nc1NS(=O)(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of 5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxypyrazine-2,3-dicarboxylic acid?
The InChIKey is BMKIPBZQHCSPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3O7S/c1-25-11-10(16-8(12(19)20)9(17-11)13(21)22)18-26(23,24)6-4-2-3-5(14)7(6)15/h2-4H,1H3,(H,16,18)(H,19,20)(H,21,22).
What are the key properties of 5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxypyrazine-2,3-dicarboxylic acid?
5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxypyrazine-2,3-dicarboxylic acid has a molecular weight of 422.20 g/mol, XLogP of 1.99, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxypyrazine-2,3-dicarboxylic acid is sourced from PubChem (CID 67139114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).