N-(2,2-diethyloxan-4-yl)-1H-pyrazole-5-sulfonamide

C12H21N3O3S — CID 102693289

IUPACN-(2,2-diethyloxan-4-yl)-1H-pyrazole-5-sulfonamide
SMILESCCC1(CC)CC(NS(=O)(=O)c2ccn[nH]2)CCO1
InChIInChI=1S/C12H21N3O3S/c1-3-12(4-2)9-10(6-8-18-12)15-19(16,17)11-5-7-13-14-11/h5,7,10,15H,3-4,6,8-9H2,1-2H3,(H,13,14)
InChIKeyWSEHXPGLOQVJHW-UHFFFAOYSA-N
MW287.38 g/mol
LogP1.43
Rot. Bonds5

About N-(2,2-diethyloxan-4-yl)-1H-pyrazole-5-sulfonamide

N-(2,2-diethyloxan-4-yl)-1H-pyrazole-5-sulfonamide (PubChem CID 102693289) has the molecular formula C12H21N3O3S and a molecular weight of 287.38 g/mol. Its IUPAC name is N-(2,2-diethyloxan-4-yl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2,2-diethyloxan-4-yl)-1H-pyrazole-5-sulfonamide
PubChem CID102693289
Molecular FormulaC12H21N3O3S
Molecular Weight287.38 g/mol
Exact Mass287.13
IUPAC NameN-(2,2-diethyloxan-4-yl)-1H-pyrazole-5-sulfonamide
SMILESCCC1(CC)CC(NS(=O)(=O)c2ccn[nH]2)CCO1
InChIInChI=1S/C12H21N3O3S/c1-3-12(4-2)9-10(6-8-18-12)15-19(16,17)11-5-7-13-14-11/h5,7,10,15H,3-4,6,8-9H2,1-2H3,(H,13,14)
InChIKeyWSEHXPGLOQVJHW-UHFFFAOYSA-N
XLogP1.43
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-N-(2,2-diethyloxan-4-yl)furan-2-sulfonamide
CID 83036290
N-cyclooctyl-1H-pyrazole-5-sulfonamide
CID 102691484
N-cycloheptyl-1H-pyrazole-5-sulfonamide
CID 102691549
N-(4-bromocyclohexyl)-1H-pyrazole-5-sulfonamide
CID 102694021
N-[(3S)-piperidin-3-yl]-1H-pyrazole-5-sulfonamide
CID 102693697
N-(1-cyclopropylbutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102693054
N-(2,2-diethyloxan-4-yl)-1-piperidin-4-ylmethanesulfonamide
CID 83037279
N-(2-methylcyclopropyl)-1H-pyrazole-5-sulfonamide
CID 102692944
1-amino-N-(2,2-diethyloxan-4-yl)propane-2-sulfonamide
CID 83033488
N-(2,2-dimethylcyclopentyl)-1H-pyrazole-5-sulfonamide
CID 102693183
N-(2,2-diethyloxan-4-yl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103868621
3-[(2,2-diethyloxan-4-yl)amino]-1H-pyrazin-2-one
CID 115865725

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethyloxan-4-yl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(2,2-diethyloxan-4-yl)-1H-pyrazole-5-sulfonamide (CID 102693289) is N-(2,2-diethyloxan-4-yl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(2,2-diethyloxan-4-yl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(2,2-diethyloxan-4-yl)-1H-pyrazole-5-sulfonamide is CCC1(CC)CC(NS(=O)(=O)c2ccn[nH]2)CCO1.
What is the InChIKey of N-(2,2-diethyloxan-4-yl)-1H-pyrazole-5-sulfonamide?
The InChIKey is WSEHXPGLOQVJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-3-12(4-2)9-10(6-8-18-12)15-19(16,17)11-5-7-13-14-11/h5,7,10,15H,3-4,6,8-9H2,1-2H3,(H,13,14).
What are the key properties of N-(2,2-diethyloxan-4-yl)-1H-pyrazole-5-sulfonamide?
N-(2,2-diethyloxan-4-yl)-1H-pyrazole-5-sulfonamide has a molecular weight of 287.38 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethyloxan-4-yl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102693289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).