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

C7H8N4O3S — CID 60917423

IUPACN-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazole-4-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2cn[nH]c2)on1
InChIInChI=1S/C7H8N4O3S/c1-5-2-7(14-10-5)11-15(12,13)6-3-8-9-4-6/h2-4,11H,1H3,(H,8,9)
InChIKeyWLBNGMAVGJSZBC-UHFFFAOYSA-N
MW228.23 g/mol
LogP0.51
Rot. Bonds3

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

N-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazole-4-sulfonamide (PubChem CID 60917423) has the molecular formula C7H8N4O3S and a molecular weight of 228.23 g/mol. Its IUPAC name is N-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazole-4-sulfonamide
PubChem CID60917423
Molecular FormulaC7H8N4O3S
Molecular Weight228.23 g/mol
Exact Mass228.03
IUPAC NameN-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazole-4-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2cn[nH]c2)on1
InChIInChI=1S/C7H8N4O3S/c1-5-2-7(14-10-5)11-15(12,13)6-3-8-9-4-6/h2-4,11H,1H3,(H,8,9)
InChIKeyWLBNGMAVGJSZBC-UHFFFAOYSA-N
XLogP0.51
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.23
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazole-4-sulfonamide (CID 60917423) is N-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazole-4-sulfonamide is Cc1cc(NS(=O)(=O)c2cn[nH]c2)on1.
What is the InChIKey of N-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazole-4-sulfonamide?
The InChIKey is WLBNGMAVGJSZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O3S/c1-5-2-7(14-10-5)11-15(12,13)6-3-8-9-4-6/h2-4,11H,1H3,(H,8,9).
What are the key properties of N-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazole-4-sulfonamide?
N-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazole-4-sulfonamide has a molecular weight of 228.23 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 60917423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).