N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-sulfonamide

C12H16N4O3S — CID 47268242

IUPACN-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-sulfonamide
SMILESCOCCN(Cc1ccccn1)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C12H16N4O3S/c1-19-7-6-16(10-11-4-2-3-5-13-11)20(17,18)12-8-14-15-9-12/h2-5,8-9H,6-7,10H2,1H3,(H,14,15)
InChIKeyNOUUSWNHISKEJF-UHFFFAOYSA-N
MW296.35 g/mol
LogP0.64
Rot. Bonds7

About N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-sulfonamide

N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-sulfonamide (PubChem CID 47268242) has the molecular formula C12H16N4O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-sulfonamide
PubChem CID47268242
Molecular FormulaC12H16N4O3S
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC NameN-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-sulfonamide
SMILESCOCCN(Cc1ccccn1)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C12H16N4O3S/c1-19-7-6-16(10-11-4-2-3-5-13-11)20(17,18)12-8-14-15-9-12/h2-5,8-9H,6-7,10H2,1H3,(H,14,15)
InChIKeyNOUUSWNHISKEJF-UHFFFAOYSA-N
XLogP0.64
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-sulfonamide (CID 47268242) is N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-sulfonamide is COCCN(Cc1ccccn1)S(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is NOUUSWNHISKEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S/c1-19-7-6-16(10-11-4-2-3-5-13-11)20(17,18)12-8-14-15-9-12/h2-5,8-9H,6-7,10H2,1H3,(H,14,15).
What are the key properties of N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-sulfonamide?
N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 296.35 g/mol, XLogP of 0.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 47268242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).