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

C10H17N3O3S — CID 171675219

IUPACN-[2-(oxan-4-yl)ethyl]-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(NCCC1CCOCC1)c1cn[nH]c1
InChIInChI=1S/C10H17N3O3S/c14-17(15,10-7-11-12-8-10)13-4-1-9-2-5-16-6-3-9/h7-9,13H,1-6H2,(H,11,12)
InChIKeyCPXOEFSPOAJHRM-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.50
Rot. Bonds5

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

N-[2-(oxan-4-yl)ethyl]-1H-pyrazole-4-sulfonamide (PubChem CID 171675219) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is N-[2-(oxan-4-yl)ethyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(oxan-4-yl)ethyl]-1H-pyrazole-4-sulfonamide
PubChem CID171675219
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC NameN-[2-(oxan-4-yl)ethyl]-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(NCCC1CCOCC1)c1cn[nH]c1
InChIInChI=1S/C10H17N3O3S/c14-17(15,10-7-11-12-8-10)13-4-1-9-2-5-16-6-3-9/h7-9,13H,1-6H2,(H,11,12)
InChIKeyCPXOEFSPOAJHRM-UHFFFAOYSA-N
XLogP0.50
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-morpholin-4-yl-3-oxopropyl)-1H-pyrazole-4-sulfonamide
CID 47372172
N-(2-piperidin-4-yloxyethyl)-1H-pyrazole-4-sulfonamide
CID 63871314
N-[(4-hydroxycyclohexyl)methyl]-1H-pyrazole-4-sulfonamide
CID 106126673
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-4-sulfonamide
CID 131929095
N-(2-methylsulfanylethyl)-1H-pyrazole-4-sulfonamide
CID 60916750
N-(3-methylsulfonylpropyl)-1H-pyrazole-4-sulfonamide
CID 47292229
5-(hydroxymethyl)-N-[2-(oxolan-3-yl)ethyl]-1H-pyrrole-3-sulfonamide
CID 106002154
N-[(E)-pent-3-enyl]-1H-pyrazole-4-sulfonamide
CID 115628631
N-[1-(oxolan-3-yl)ethyl]-1H-pyrazole-4-sulfonamide
CID 115650610
N-(4-chloropentyl)-1H-pyrazole-4-sulfonamide
CID 106135484
N-[2-(2-methoxyethoxy)ethyl]-1H-pyrazole-4-sulfonamide
CID 47959278
N-[[2-(bromomethyl)cyclohexyl]methyl]-1H-pyrazole-4-sulfonamide
CID 114295398

Frequently Asked Questions

What is the IUPAC name of N-[2-(oxan-4-yl)ethyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[2-(oxan-4-yl)ethyl]-1H-pyrazole-4-sulfonamide (CID 171675219) is N-[2-(oxan-4-yl)ethyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-(oxan-4-yl)ethyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[2-(oxan-4-yl)ethyl]-1H-pyrazole-4-sulfonamide is O=S(=O)(NCCC1CCOCC1)c1cn[nH]c1.
What is the InChIKey of N-[2-(oxan-4-yl)ethyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is CPXOEFSPOAJHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c14-17(15,10-7-11-12-8-10)13-4-1-9-2-5-16-6-3-9/h7-9,13H,1-6H2,(H,11,12).
What are the key properties of N-[2-(oxan-4-yl)ethyl]-1H-pyrazole-4-sulfonamide?
N-[2-(oxan-4-yl)ethyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 259.33 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxan-4-yl)ethyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 171675219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).