N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-5-methyl-1H-pyrazole-4-sulfonamide

C12H16N4O4S — CID 61275570

IUPACN-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCOCCn1cc(NS(=O)(=O)c2cn[nH]c2C)ccc1=O
InChIInChI=1S/C12H16N4O4S/c1-9-11(7-13-14-9)21(18,19)15-10-3-4-12(17)16(8-10)5-6-20-2/h3-4,7-8,15H,5-6H2,1-2H3,(H,13,14)
InChIKeyUSCRGCFBBLZLQB-UHFFFAOYSA-N
MW312.35 g/mol
LogP0.33
Rot. Bonds6

About N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-5-methyl-1H-pyrazole-4-sulfonamide

N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-5-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 61275570) has the molecular formula C12H16N4O4S and a molecular weight of 312.35 g/mol. Its IUPAC name is N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-5-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-5-methyl-1H-pyrazole-4-sulfonamide
PubChem CID61275570
Molecular FormulaC12H16N4O4S
Molecular Weight312.35 g/mol
Exact Mass312.09
IUPAC NameN-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCOCCn1cc(NS(=O)(=O)c2cn[nH]c2C)ccc1=O
InChIInChI=1S/C12H16N4O4S/c1-9-11(7-13-14-9)21(18,19)15-10-3-4-12(17)16(8-10)5-6-20-2/h3-4,7-8,15H,5-6H2,1-2H3,(H,13,14)
InChIKeyUSCRGCFBBLZLQB-UHFFFAOYSA-N
XLogP0.33
TPSA106.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-5-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-5-methyl-1H-pyrazole-4-sulfonamide (CID 61275570) is N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-5-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-5-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-5-methyl-1H-pyrazole-4-sulfonamide is COCCn1cc(NS(=O)(=O)c2cn[nH]c2C)ccc1=O.
What is the InChIKey of N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-5-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is USCRGCFBBLZLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O4S/c1-9-11(7-13-14-9)21(18,19)15-10-3-4-12(17)16(8-10)5-6-20-2/h3-4,7-8,15H,5-6H2,1-2H3,(H,13,14).
What are the key properties of N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-5-methyl-1H-pyrazole-4-sulfonamide?
N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-5-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 312.35 g/mol, XLogP of 0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-5-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 61275570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).