N-(2-ethoxyethyl)-1H-pyrazole-5-sulfonamide

C7H13N3O3S — CID 102691892

IUPACN-(2-ethoxyethyl)-1H-pyrazole-5-sulfonamide
SMILESCCOCCNS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C7H13N3O3S/c1-2-13-6-5-9-14(11,12)7-3-4-8-10-7/h3-4,9H,2,5-6H2,1H3,(H,8,10)
InChIKeyUZIOXBUDISUSOO-UHFFFAOYSA-N
MW219.27 g/mol
LogP-0.28
Rot. Bonds6

About N-(2-ethoxyethyl)-1H-pyrazole-5-sulfonamide

N-(2-ethoxyethyl)-1H-pyrazole-5-sulfonamide (PubChem CID 102691892) has the molecular formula C7H13N3O3S and a molecular weight of 219.27 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-1H-pyrazole-5-sulfonamide
PubChem CID102691892
Molecular FormulaC7H13N3O3S
Molecular Weight219.27 g/mol
Exact Mass219.07
IUPAC NameN-(2-ethoxyethyl)-1H-pyrazole-5-sulfonamide
SMILESCCOCCNS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C7H13N3O3S/c1-2-13-6-5-9-14(11,12)7-3-4-8-10-7/h3-4,9H,2,5-6H2,1H3,(H,8,10)
InChIKeyUZIOXBUDISUSOO-UHFFFAOYSA-N
XLogP-0.28
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 5-0.28
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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Related Compounds

N-(2-butoxyethyl)-1H-pyrazole-5-sulfonamide
CID 102692369
N-[2-(2-methoxyethoxy)ethyl]-1H-pyrazole-5-sulfonamide
CID 102692888
N-[2-(2-methylpropoxy)ethyl]-1H-pyrazole-5-sulfonamide
CID 102693440
N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-5-sulfonamide
CID 102691011
N-(4-aminopentyl)-1H-pyrazole-5-sulfonamide
CID 106125806
N-(3-propan-2-yloxypropyl)-1H-pyrazole-5-sulfonamide
CID 102692436
N-[3-(2-bromoethoxy)propyl]-1H-pyrazole-5-sulfonamide
CID 106304886
N-(3-chloro-4-methoxybutyl)-1H-pyrazole-5-sulfonamide
CID 106245564
N-(6-iodohexyl)-1H-pyrazole-5-sulfonamide
CID 107849067
3-(1H-pyrazol-5-ylsulfonylamino)propanethioamide
CID 102691194
N-[(2R)-2-hydroxypropyl]-1H-pyrazole-5-sulfonamide
CID 102693499
N-(4-cyanobutyl)-1H-pyrazole-5-sulfonamide
CID 102691141

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(2-ethoxyethyl)-1H-pyrazole-5-sulfonamide (CID 102691892) is N-(2-ethoxyethyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(2-ethoxyethyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(2-ethoxyethyl)-1H-pyrazole-5-sulfonamide is CCOCCNS(=O)(=O)c1ccn[nH]1.
What is the InChIKey of N-(2-ethoxyethyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is UZIOXBUDISUSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O3S/c1-2-13-6-5-9-14(11,12)7-3-4-8-10-7/h3-4,9H,2,5-6H2,1H3,(H,8,10).
What are the key properties of N-(2-ethoxyethyl)-1H-pyrazole-5-sulfonamide?
N-(2-ethoxyethyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 219.27 g/mol, XLogP of -0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102691892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).