N-[2-(2-methoxyethoxy)ethyl]-1H-pyrazole-4-sulfonamide

C8H15N3O4S — CID 47959278

IUPACN-[2-(2-methoxyethoxy)ethyl]-1H-pyrazole-4-sulfonamide
SMILESCOCCOCCNS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C8H15N3O4S/c1-14-4-5-15-3-2-11-16(12,13)8-6-9-10-7-8/h6-7,11H,2-5H2,1H3,(H,9,10)
InChIKeyNVALICDNYHJONH-UHFFFAOYSA-N
MW249.29 g/mol
LogP-0.65
Rot. Bonds8

About N-[2-(2-methoxyethoxy)ethyl]-1H-pyrazole-4-sulfonamide

N-[2-(2-methoxyethoxy)ethyl]-1H-pyrazole-4-sulfonamide (PubChem CID 47959278) has the molecular formula C8H15N3O4S and a molecular weight of 249.29 g/mol. Its IUPAC name is N-[2-(2-methoxyethoxy)ethyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethoxy)ethyl]-1H-pyrazole-4-sulfonamide
PubChem CID47959278
Molecular FormulaC8H15N3O4S
Molecular Weight249.29 g/mol
Exact Mass249.08
IUPAC NameN-[2-(2-methoxyethoxy)ethyl]-1H-pyrazole-4-sulfonamide
SMILESCOCCOCCNS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C8H15N3O4S/c1-14-4-5-15-3-2-11-16(12,13)8-6-9-10-7-8/h6-7,11H,2-5H2,1H3,(H,9,10)
InChIKeyNVALICDNYHJONH-UHFFFAOYSA-N
XLogP-0.65
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2-methoxyethoxy)butyl]-1H-pyrazole-4-sulfonamide
CID 115599999
N-(2-methylsulfanylethyl)-1H-pyrazole-4-sulfonamide
CID 60916750
N-(3-methylsulfonylpropyl)-1H-pyrazole-4-sulfonamide
CID 47292229
N-[2-(2-methoxyethoxy)ethyl]-1H-pyrazole-5-sulfonamide
CID 102692888
N-[(E)-pent-3-enyl]-1H-pyrazole-4-sulfonamide
CID 115628631
N-(4-chloropentyl)-1H-pyrazole-4-sulfonamide
CID 106135484
N-[2-(2-aminophenoxy)ethyl]-1H-pyrazole-4-sulfonamide
CID 54915290
N-[2-(2-methoxyethoxy)ethyl]-6-(propylamino)pyridine-3-sulfonamide
CID 62157283
N-(2-chloropropyl)-1H-pyrazole-4-sulfonamide
CID 65033570
N-[3-[methyl(propan-2-yl)amino]propyl]-1H-pyrazole-4-sulfonamide
CID 113226739
N-(2-piperidin-4-yloxyethyl)-1H-pyrazole-4-sulfonamide
CID 63871314
4-methoxy-2-(1H-pyrazol-4-ylsulfonylamino)butanoic acid
CID 55075853

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethoxy)ethyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[2-(2-methoxyethoxy)ethyl]-1H-pyrazole-4-sulfonamide (CID 47959278) is N-[2-(2-methoxyethoxy)ethyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-(2-methoxyethoxy)ethyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[2-(2-methoxyethoxy)ethyl]-1H-pyrazole-4-sulfonamide is COCCOCCNS(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N-[2-(2-methoxyethoxy)ethyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is NVALICDNYHJONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O4S/c1-14-4-5-15-3-2-11-16(12,13)8-6-9-10-7-8/h6-7,11H,2-5H2,1H3,(H,9,10).
What are the key properties of N-[2-(2-methoxyethoxy)ethyl]-1H-pyrazole-4-sulfonamide?
N-[2-(2-methoxyethoxy)ethyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 249.29 g/mol, XLogP of -0.65, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethoxy)ethyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 47959278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).