1-(5-chloro-3-methoxypyrazin-2-yl)-5-oxopyrrolidine-3-sulfonamide

C9H11ClN4O4S — CID 168717468

IUPAC1-(5-chloro-3-methoxypyrazin-2-yl)-5-oxopyrrolidine-3-sulfonamide
SMILESCOc1nc(Cl)cnc1N1CC(S(N)(=O)=O)CC1=O
InChIInChI=1S/C9H11ClN4O4S/c1-18-9-8(12-3-6(10)13-9)14-4-5(2-7(14)15)19(11,16)17/h3,5H,2,4H2,1H3,(H2,11,16,17)
InChIKeyWJTWDBNSKRXSBG-UHFFFAOYSA-N
MW306.73 g/mol
LogP-0.47
Rot. Bonds3

About 1-(5-chloro-3-methoxypyrazin-2-yl)-5-oxopyrrolidine-3-sulfonamide

1-(5-chloro-3-methoxypyrazin-2-yl)-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168717468) has the molecular formula C9H11ClN4O4S and a molecular weight of 306.73 g/mol. Its IUPAC name is 1-(5-chloro-3-methoxypyrazin-2-yl)-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-(5-chloro-3-methoxypyrazin-2-yl)-5-oxopyrrolidine-3-sulfonamide
PubChem CID168717468
Molecular FormulaC9H11ClN4O4S
Molecular Weight306.73 g/mol
Exact Mass306.02
IUPAC Name1-(5-chloro-3-methoxypyrazin-2-yl)-5-oxopyrrolidine-3-sulfonamide
SMILESCOc1nc(Cl)cnc1N1CC(S(N)(=O)=O)CC1=O
InChIInChI=1S/C9H11ClN4O4S/c1-18-9-8(12-3-6(10)13-9)14-4-5(2-7(14)15)19(11,16)17/h3,5H,2,4H2,1H3,(H2,11,16,17)
InChIKeyWJTWDBNSKRXSBG-UHFFFAOYSA-N
XLogP-0.47
TPSA115.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.73
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-bromo-3-chloropyrazin-2-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168719093
1-(5-amino-2-chloropyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168719034
1-(5-chloro-3-hydroxy-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718581
1-(5-bromo-2-chloropyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168719055
1-(3-bromo-5-chloropyrazin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715138
1-(4,6-dichloropyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168719537
1-(3-amino-6-bromopyrazin-2-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168719062
1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168717516
1-(6-chloro-2-methylpyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168717981
1-(2-chloro-5-nitropyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168719060
1-(6-chloro-2-methyl-3-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717778
1-(2-chloro-4-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168719282

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-3-methoxypyrazin-2-yl)-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-(5-chloro-3-methoxypyrazin-2-yl)-5-oxopyrrolidine-3-sulfonamide (CID 168717468) is 1-(5-chloro-3-methoxypyrazin-2-yl)-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-(5-chloro-3-methoxypyrazin-2-yl)-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-(5-chloro-3-methoxypyrazin-2-yl)-5-oxopyrrolidine-3-sulfonamide is COc1nc(Cl)cnc1N1CC(S(N)(=O)=O)CC1=O.
What is the InChIKey of 1-(5-chloro-3-methoxypyrazin-2-yl)-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is WJTWDBNSKRXSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4O4S/c1-18-9-8(12-3-6(10)13-9)14-4-5(2-7(14)15)19(11,16)17/h3,5H,2,4H2,1H3,(H2,11,16,17).
What are the key properties of 1-(5-chloro-3-methoxypyrazin-2-yl)-5-oxopyrrolidine-3-sulfonamide?
1-(5-chloro-3-methoxypyrazin-2-yl)-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 306.73 g/mol, XLogP of -0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-3-methoxypyrazin-2-yl)-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168717468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).