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

C9H17N3O3S — CID 102692369

IUPACN-(2-butoxyethyl)-1H-pyrazole-5-sulfonamide
SMILESCCCCOCCNS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C9H17N3O3S/c1-2-3-7-15-8-6-11-16(13,14)9-4-5-10-12-9/h4-5,11H,2-3,6-8H2,1H3,(H,10,12)
InChIKeyCHRZJBQTNHRFPT-UHFFFAOYSA-N
MW247.32 g/mol
LogP0.50
Rot. Bonds8

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

N-(2-butoxyethyl)-1H-pyrazole-5-sulfonamide (PubChem CID 102692369) has the molecular formula C9H17N3O3S and a molecular weight of 247.32 g/mol. Its IUPAC name is N-(2-butoxyethyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-butoxyethyl)-1H-pyrazole-5-sulfonamide
PubChem CID102692369
Molecular FormulaC9H17N3O3S
Molecular Weight247.32 g/mol
Exact Mass247.10
IUPAC NameN-(2-butoxyethyl)-1H-pyrazole-5-sulfonamide
SMILESCCCCOCCNS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C9H17N3O3S/c1-2-3-7-15-8-6-11-16(13,14)9-4-5-10-12-9/h4-5,11H,2-3,6-8H2,1H3,(H,10,12)
InChIKeyCHRZJBQTNHRFPT-UHFFFAOYSA-N
XLogP0.50
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 50.50
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-ethoxyethyl)-1H-pyrazole-5-sulfonamide
CID 102691892
N-[2-(2-methoxyethoxy)ethyl]-1H-pyrazole-5-sulfonamide
CID 102692888
N-[2-(2-methylpropoxy)ethyl]-1H-pyrazole-5-sulfonamide
CID 102693440
N-[3-(2-bromoethoxy)propyl]-1H-pyrazole-5-sulfonamide
CID 106304886
N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-5-sulfonamide
CID 102691011
N-(3-propan-2-yloxypropyl)-1H-pyrazole-5-sulfonamide
CID 102692436
N-(4-aminopentyl)-1H-pyrazole-5-sulfonamide
CID 106125806
N-(6-iodohexyl)-1H-pyrazole-5-sulfonamide
CID 107849067
N-(3-chloro-4-methoxybutyl)-1H-pyrazole-5-sulfonamide
CID 106245564
N-(2-butoxyethyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106017591
N-(4-cyanobutyl)-1H-pyrazole-5-sulfonamide
CID 102691141
3-(1H-pyrazol-5-ylsulfonylamino)propanethioamide
CID 102691194

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyethyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(2-butoxyethyl)-1H-pyrazole-5-sulfonamide (CID 102692369) is N-(2-butoxyethyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(2-butoxyethyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(2-butoxyethyl)-1H-pyrazole-5-sulfonamide is CCCCOCCNS(=O)(=O)c1ccn[nH]1.
What is the InChIKey of N-(2-butoxyethyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is CHRZJBQTNHRFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3S/c1-2-3-7-15-8-6-11-16(13,14)9-4-5-10-12-9/h4-5,11H,2-3,6-8H2,1H3,(H,10,12).
What are the key properties of N-(2-butoxyethyl)-1H-pyrazole-5-sulfonamide?
N-(2-butoxyethyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 247.32 g/mol, XLogP of 0.50, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102692369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).