N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-5-sulfonamide

C7H9N5O3S — CID 106405998

IUPACN-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(NCCc1ncno1)c1ccn[nH]1
InChIInChI=1S/C7H9N5O3S/c13-16(14,7-2-3-9-12-7)11-4-1-6-8-5-10-15-6/h2-3,5,11H,1,4H2,(H,9,12)
InChIKeyWLPUXGFNFUGEHR-UHFFFAOYSA-N
MW243.25 g/mol
LogP-0.69
Rot. Bonds5

About N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-5-sulfonamide

N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-5-sulfonamide (PubChem CID 106405998) has the molecular formula C7H9N5O3S and a molecular weight of 243.25 g/mol. Its IUPAC name is N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-5-sulfonamide
PubChem CID106405998
Molecular FormulaC7H9N5O3S
Molecular Weight243.25 g/mol
Exact Mass243.04
IUPAC NameN-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(NCCc1ncno1)c1ccn[nH]1
InChIInChI=1S/C7H9N5O3S/c13-16(14,7-2-3-9-12-7)11-4-1-6-8-5-10-15-6/h2-3,5,11H,1,4H2,(H,9,12)
InChIKeyWLPUXGFNFUGEHR-UHFFFAOYSA-N
XLogP-0.69
TPSA113.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-5-sulfonamide (CID 106405998) is N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-5-sulfonamide is O=S(=O)(NCCc1ncno1)c1ccn[nH]1.
What is the InChIKey of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-5-sulfonamide?
The InChIKey is WLPUXGFNFUGEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O3S/c13-16(14,7-2-3-9-12-7)11-4-1-6-8-5-10-15-6/h2-3,5,11H,1,4H2,(H,9,12).
What are the key properties of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-5-sulfonamide?
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-5-sulfonamide has a molecular weight of 243.25 g/mol, XLogP of -0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 106405998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).