N-[2-(2-methoxyethoxy)ethyl]-1H-pyrazole-5-sulfonamide

C8H15N3O4S — CID 102692888

IUPACN-[2-(2-methoxyethoxy)ethyl]-1H-pyrazole-5-sulfonamide
SMILESCOCCOCCNS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C8H15N3O4S/c1-14-6-7-15-5-4-10-16(12,13)8-2-3-9-11-8/h2-3,10H,4-7H2,1H3,(H,9,11)
InChIKeyZMQBBQPLBLKWSD-UHFFFAOYSA-N
MW249.29 g/mol
LogP-0.65
Rot. Bonds8

About N-[2-(2-methoxyethoxy)ethyl]-1H-pyrazole-5-sulfonamide

N-[2-(2-methoxyethoxy)ethyl]-1H-pyrazole-5-sulfonamide (PubChem CID 102692888) 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-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethoxy)ethyl]-1H-pyrazole-5-sulfonamide
PubChem CID102692888
Molecular FormulaC8H15N3O4S
Molecular Weight249.29 g/mol
Exact Mass249.08
IUPAC NameN-[2-(2-methoxyethoxy)ethyl]-1H-pyrazole-5-sulfonamide
SMILESCOCCOCCNS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C8H15N3O4S/c1-14-6-7-15-5-4-10-16(12,13)8-2-3-9-11-8/h2-3,10H,4-7H2,1H3,(H,9,11)
InChIKeyZMQBBQPLBLKWSD-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-(2-ethoxyethyl)-1H-pyrazole-5-sulfonamide
CID 102691892
N-(2-butoxyethyl)-1H-pyrazole-5-sulfonamide
CID 102692369
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-(3-chloro-4-methoxybutyl)-1H-pyrazole-5-sulfonamide
CID 106245564
N-[3-(2-bromoethoxy)propyl]-1H-pyrazole-5-sulfonamide
CID 106304886
N-(3-propan-2-yloxypropyl)-1H-pyrazole-5-sulfonamide
CID 102692436
N-[2-(2-methoxyethoxy)ethyl]-1H-pyrazole-4-sulfonamide
CID 47959278
N-(4-aminopentyl)-1H-pyrazole-5-sulfonamide
CID 106125806
N-[4-(2-methoxyethoxy)phenyl]-1H-pyrazole-5-sulfonamide
CID 102692703
2-(1H-pyrazol-5-ylsulfonylamino)acetic acid
CID 102690627
N-(6-iodohexyl)-1H-pyrazole-5-sulfonamide
CID 107849067

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethoxy)ethyl]-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-[2-(2-methoxyethoxy)ethyl]-1H-pyrazole-5-sulfonamide (CID 102692888) is N-[2-(2-methoxyethoxy)ethyl]-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-[2-(2-methoxyethoxy)ethyl]-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-[2-(2-methoxyethoxy)ethyl]-1H-pyrazole-5-sulfonamide is COCCOCCNS(=O)(=O)c1ccn[nH]1.
What is the InChIKey of N-[2-(2-methoxyethoxy)ethyl]-1H-pyrazole-5-sulfonamide?
The InChIKey is ZMQBBQPLBLKWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O4S/c1-14-6-7-15-5-4-10-16(12,13)8-2-3-9-11-8/h2-3,10H,4-7H2,1H3,(H,9,11).
What are the key properties of N-[2-(2-methoxyethoxy)ethyl]-1H-pyrazole-5-sulfonamide?
N-[2-(2-methoxyethoxy)ethyl]-1H-pyrazole-5-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-5-sulfonamide is sourced from PubChem (CID 102692888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).