N-(2-methoxyethyl)-5-methyl-1H-pyrazole-4-sulfonamide

C7H13N3O3S — CID 60912485

IUPACN-(2-methoxyethyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCOCCNS(=O)(=O)c1cn[nH]c1C
InChIInChI=1S/C7H13N3O3S/c1-6-7(5-8-10-6)14(11,12)9-3-4-13-2/h5,9H,3-4H2,1-2H3,(H,8,10)
InChIKeyFLWKHBRQEQQBSS-UHFFFAOYSA-N
MW219.27 g/mol
LogP-0.36
Rot. Bonds5

About N-(2-methoxyethyl)-5-methyl-1H-pyrazole-4-sulfonamide

N-(2-methoxyethyl)-5-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 60912485) has the molecular formula C7H13N3O3S and a molecular weight of 219.27 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-methyl-1H-pyrazole-4-sulfonamide
PubChem CID60912485
Molecular FormulaC7H13N3O3S
Molecular Weight219.27 g/mol
Exact Mass219.07
IUPAC NameN-(2-methoxyethyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCOCCNS(=O)(=O)c1cn[nH]c1C
InChIInChI=1S/C7H13N3O3S/c1-6-7(5-8-10-6)14(11,12)9-3-4-13-2/h5,9H,3-4H2,1-2H3,(H,8,10)
InChIKeyFLWKHBRQEQQBSS-UHFFFAOYSA-N
XLogP-0.36
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(2-methoxyethyl)-5-methyl-1H-pyrazole-4-sulfonamide (CID 60912485) is N-(2-methoxyethyl)-5-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-methoxyethyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(2-methoxyethyl)-5-methyl-1H-pyrazole-4-sulfonamide is COCCNS(=O)(=O)c1cn[nH]c1C.
What is the InChIKey of N-(2-methoxyethyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is FLWKHBRQEQQBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O3S/c1-6-7(5-8-10-6)14(11,12)9-3-4-13-2/h5,9H,3-4H2,1-2H3,(H,8,10).
What are the key properties of N-(2-methoxyethyl)-5-methyl-1H-pyrazole-4-sulfonamide?
N-(2-methoxyethyl)-5-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 219.27 g/mol, XLogP of -0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 60912485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).