1-(oxolan-3-yl)pyrazole-4-sulfonamide

C7H11N3O3S — CID 81339897

IUPAC1-(oxolan-3-yl)pyrazole-4-sulfonamide
SMILESNS(=O)(=O)c1cnn(C2CCOC2)c1
InChIInChI=1S/C7H11N3O3S/c8-14(11,12)7-3-9-10(4-7)6-1-2-13-5-6/h3-4,6H,1-2,5H2,(H2,8,11,12)
InChIKeyWFWAJIUEDRTWLK-UHFFFAOYSA-N
MW217.25 g/mol
LogP-0.51
Rot. Bonds2

About 1-(oxolan-3-yl)pyrazole-4-sulfonamide

1-(oxolan-3-yl)pyrazole-4-sulfonamide (PubChem CID 81339897) has the molecular formula C7H11N3O3S and a molecular weight of 217.25 g/mol. Its IUPAC name is 1-(oxolan-3-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(oxolan-3-yl)pyrazole-4-sulfonamide
PubChem CID81339897
Molecular FormulaC7H11N3O3S
Molecular Weight217.25 g/mol
Exact Mass217.05
IUPAC Name1-(oxolan-3-yl)pyrazole-4-sulfonamide
SMILESNS(=O)(=O)c1cnn(C2CCOC2)c1
InChIInChI=1S/C7H11N3O3S/c8-14(11,12)7-3-9-10(4-7)6-1-2-13-5-6/h3-4,6H,1-2,5H2,(H2,8,11,12)
InChIKeyWFWAJIUEDRTWLK-UHFFFAOYSA-N
XLogP-0.51
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)pyrazole-4-sulfonamide?
The IUPAC name of 1-(oxolan-3-yl)pyrazole-4-sulfonamide (CID 81339897) is 1-(oxolan-3-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(oxolan-3-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-(oxolan-3-yl)pyrazole-4-sulfonamide is NS(=O)(=O)c1cnn(C2CCOC2)c1.
What is the InChIKey of 1-(oxolan-3-yl)pyrazole-4-sulfonamide?
The InChIKey is WFWAJIUEDRTWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3S/c8-14(11,12)7-3-9-10(4-7)6-1-2-13-5-6/h3-4,6H,1-2,5H2,(H2,8,11,12).
What are the key properties of 1-(oxolan-3-yl)pyrazole-4-sulfonamide?
1-(oxolan-3-yl)pyrazole-4-sulfonamide has a molecular weight of 217.25 g/mol, XLogP of -0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 81339897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).