2,3-dichloro-N-(3-methoxy-5-methylsulfonylpyrazin-2-yl)benzenesulfonamide

C12H11Cl2N3O5S2 — CID 59168213

IUPAC2,3-dichloro-N-(3-methoxy-5-methylsulfonylpyrazin-2-yl)benzenesulfonamide
SMILESCOc1nc(S(C)(=O)=O)cnc1NS(=O)(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C12H11Cl2N3O5S2/c1-22-12-11(15-6-9(16-12)23(2,18)19)17-24(20,21)8-5-3-4-7(13)10(8)14/h3-6H,1-2H3,(H,15,17)
InChIKeyLJJUFMQDZAXCKZ-UHFFFAOYSA-N
MW412.28 g/mol
LogP2.00
Rot. Bonds5

About 2,3-dichloro-N-(3-methoxy-5-methylsulfonylpyrazin-2-yl)benzenesulfonamide

2,3-dichloro-N-(3-methoxy-5-methylsulfonylpyrazin-2-yl)benzenesulfonamide (PubChem CID 59168213) has the molecular formula C12H11Cl2N3O5S2 and a molecular weight of 412.28 g/mol. Its IUPAC name is 2,3-dichloro-N-(3-methoxy-5-methylsulfonylpyrazin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,3-dichloro-N-(3-methoxy-5-methylsulfonylpyrazin-2-yl)benzenesulfonamide
PubChem CID59168213
Molecular FormulaC12H11Cl2N3O5S2
Molecular Weight412.28 g/mol
Exact Mass410.95
IUPAC Name2,3-dichloro-N-(3-methoxy-5-methylsulfonylpyrazin-2-yl)benzenesulfonamide
SMILESCOc1nc(S(C)(=O)=O)cnc1NS(=O)(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C12H11Cl2N3O5S2/c1-22-12-11(15-6-9(16-12)23(2,18)19)17-24(20,21)8-5-3-4-7(13)10(8)14/h3-6H,1-2H3,(H,15,17)
InChIKeyLJJUFMQDZAXCKZ-UHFFFAOYSA-N
XLogP2.00
TPSA115.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.28
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-(3-methoxy-5-methylsulfonylpyrazin-2-yl)benzenesulfonamide?
The IUPAC name of 2,3-dichloro-N-(3-methoxy-5-methylsulfonylpyrazin-2-yl)benzenesulfonamide (CID 59168213) is 2,3-dichloro-N-(3-methoxy-5-methylsulfonylpyrazin-2-yl)benzenesulfonamide.
What is the SMILES notation for 2,3-dichloro-N-(3-methoxy-5-methylsulfonylpyrazin-2-yl)benzenesulfonamide?
The canonical SMILES for 2,3-dichloro-N-(3-methoxy-5-methylsulfonylpyrazin-2-yl)benzenesulfonamide is COc1nc(S(C)(=O)=O)cnc1NS(=O)(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-(3-methoxy-5-methylsulfonylpyrazin-2-yl)benzenesulfonamide?
The InChIKey is LJJUFMQDZAXCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O5S2/c1-22-12-11(15-6-9(16-12)23(2,18)19)17-24(20,21)8-5-3-4-7(13)10(8)14/h3-6H,1-2H3,(H,15,17).
What are the key properties of 2,3-dichloro-N-(3-methoxy-5-methylsulfonylpyrazin-2-yl)benzenesulfonamide?
2,3-dichloro-N-(3-methoxy-5-methylsulfonylpyrazin-2-yl)benzenesulfonamide has a molecular weight of 412.28 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-(3-methoxy-5-methylsulfonylpyrazin-2-yl)benzenesulfonamide is sourced from PubChem (CID 59168213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).