2,3-dichloro-N-(5-chloro-2-methoxy-6-oxo-1H-pyrazin-3-yl)benzenesulfonamide

C11H8Cl3N3O4S — CID 10194044

IUPAC2,3-dichloro-N-(5-chloro-2-methoxy-6-oxo-1H-pyrazin-3-yl)benzenesulfonamide
SMILESCOc1[nH]c(=O)c(Cl)nc1NS(=O)(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C11H8Cl3N3O4S/c1-21-11-9(15-8(14)10(18)16-11)17-22(19,20)6-4-2-3-5(12)7(6)13/h2-4H,1H3,(H,15,17)(H,16,18)
InChIKeyZHGIAWQDAYKJQG-UHFFFAOYSA-N
MW384.63 g/mol
LogP2.54
Rot. Bonds4

About 2,3-dichloro-N-(5-chloro-2-methoxy-6-oxo-1H-pyrazin-3-yl)benzenesulfonamide

2,3-dichloro-N-(5-chloro-2-methoxy-6-oxo-1H-pyrazin-3-yl)benzenesulfonamide (PubChem CID 10194044) has the molecular formula C11H8Cl3N3O4S and a molecular weight of 384.63 g/mol. Its IUPAC name is 2,3-dichloro-N-(5-chloro-2-methoxy-6-oxo-1H-pyrazin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,3-dichloro-N-(5-chloro-2-methoxy-6-oxo-1H-pyrazin-3-yl)benzenesulfonamide
PubChem CID10194044
Molecular FormulaC11H8Cl3N3O4S
Molecular Weight384.63 g/mol
Exact Mass382.93
IUPAC Name2,3-dichloro-N-(5-chloro-2-methoxy-6-oxo-1H-pyrazin-3-yl)benzenesulfonamide
SMILESCOc1[nH]c(=O)c(Cl)nc1NS(=O)(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C11H8Cl3N3O4S/c1-21-11-9(15-8(14)10(18)16-11)17-22(19,20)6-4-2-3-5(12)7(6)13/h2-4H,1H3,(H,15,17)(H,16,18)
InChIKeyZHGIAWQDAYKJQG-UHFFFAOYSA-N
XLogP2.54
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.63
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-(5-chloro-2-methoxy-6-oxo-1H-pyrazin-3-yl)benzenesulfonamide?
The IUPAC name of 2,3-dichloro-N-(5-chloro-2-methoxy-6-oxo-1H-pyrazin-3-yl)benzenesulfonamide (CID 10194044) is 2,3-dichloro-N-(5-chloro-2-methoxy-6-oxo-1H-pyrazin-3-yl)benzenesulfonamide.
What is the SMILES notation for 2,3-dichloro-N-(5-chloro-2-methoxy-6-oxo-1H-pyrazin-3-yl)benzenesulfonamide?
The canonical SMILES for 2,3-dichloro-N-(5-chloro-2-methoxy-6-oxo-1H-pyrazin-3-yl)benzenesulfonamide is COc1[nH]c(=O)c(Cl)nc1NS(=O)(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-(5-chloro-2-methoxy-6-oxo-1H-pyrazin-3-yl)benzenesulfonamide?
The InChIKey is ZHGIAWQDAYKJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl3N3O4S/c1-21-11-9(15-8(14)10(18)16-11)17-22(19,20)6-4-2-3-5(12)7(6)13/h2-4H,1H3,(H,15,17)(H,16,18).
What are the key properties of 2,3-dichloro-N-(5-chloro-2-methoxy-6-oxo-1H-pyrazin-3-yl)benzenesulfonamide?
2,3-dichloro-N-(5-chloro-2-methoxy-6-oxo-1H-pyrazin-3-yl)benzenesulfonamide has a molecular weight of 384.63 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-(5-chloro-2-methoxy-6-oxo-1H-pyrazin-3-yl)benzenesulfonamide is sourced from PubChem (CID 10194044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).