N-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyrazole-5-sulfonamide

C6H7N5O3S — CID 102693425

IUPACN-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyrazole-5-sulfonamide
SMILESCc1noc(NS(=O)(=O)c2ccn[nH]2)n1
InChIInChI=1S/C6H7N5O3S/c1-4-8-6(14-10-4)11-15(12,13)5-2-3-7-9-5/h2-3H,1H3,(H,7,9)(H,8,10,11)
InChIKeyISVNGHORZUVWEI-UHFFFAOYSA-N
MW229.22 g/mol
LogP-0.10
Rot. Bonds3

About N-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyrazole-5-sulfonamide

N-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyrazole-5-sulfonamide (PubChem CID 102693425) has the molecular formula C6H7N5O3S and a molecular weight of 229.22 g/mol. Its IUPAC name is N-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyrazole-5-sulfonamide
PubChem CID102693425
Molecular FormulaC6H7N5O3S
Molecular Weight229.22 g/mol
Exact Mass229.03
IUPAC NameN-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyrazole-5-sulfonamide
SMILESCc1noc(NS(=O)(=O)c2ccn[nH]2)n1
InChIInChI=1S/C6H7N5O3S/c1-4-8-6(14-10-4)11-15(12,13)5-2-3-7-9-5/h2-3H,1H3,(H,7,9)(H,8,10,11)
InChIKeyISVNGHORZUVWEI-UHFFFAOYSA-N
XLogP-0.10
TPSA113.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.22
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyrazole-5-sulfonamide (CID 102693425) is N-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyrazole-5-sulfonamide is Cc1noc(NS(=O)(=O)c2ccn[nH]2)n1.
What is the InChIKey of N-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyrazole-5-sulfonamide?
The InChIKey is ISVNGHORZUVWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5O3S/c1-4-8-6(14-10-4)11-15(12,13)5-2-3-7-9-5/h2-3H,1H3,(H,7,9)(H,8,10,11).
What are the key properties of N-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyrazole-5-sulfonamide?
N-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyrazole-5-sulfonamide has a molecular weight of 229.22 g/mol, XLogP of -0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102693425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).