N-(oxomethylidene)pyrazole-1-sulfonamide

C4H3N3O3S — CID 23299107

IUPACN-(oxomethylidene)pyrazole-1-sulfonamide
SMILESO=C=NS(=O)(=O)n1cccn1
InChIInChI=1S/C4H3N3O3S/c8-4-6-11(9,10)7-3-1-2-5-7/h1-3H
InChIKeyWGVVOXNSPLJOSE-UHFFFAOYSA-N
MW173.15 g/mol
LogP-0.69
Rot. Bonds2

About N-(oxomethylidene)pyrazole-1-sulfonamide

N-(oxomethylidene)pyrazole-1-sulfonamide (PubChem CID 23299107) has the molecular formula C4H3N3O3S and a molecular weight of 173.15 g/mol. Its IUPAC name is N-(oxomethylidene)pyrazole-1-sulfonamide.

Molecular Properties

Compound NameN-(oxomethylidene)pyrazole-1-sulfonamide
PubChem CID23299107
Molecular FormulaC4H3N3O3S
Molecular Weight173.15 g/mol
Exact Mass172.99
IUPAC NameN-(oxomethylidene)pyrazole-1-sulfonamide
SMILESO=C=NS(=O)(=O)n1cccn1
InChIInChI=1S/C4H3N3O3S/c8-4-6-11(9,10)7-3-1-2-5-7/h1-3H
InChIKeyWGVVOXNSPLJOSE-UHFFFAOYSA-N
XLogP-0.69
TPSA81.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.15
LogP ≤ 5-0.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(oxomethylidene)pyrazole-1-sulfonamide?
The IUPAC name of N-(oxomethylidene)pyrazole-1-sulfonamide (CID 23299107) is N-(oxomethylidene)pyrazole-1-sulfonamide.
What is the SMILES notation for N-(oxomethylidene)pyrazole-1-sulfonamide?
The canonical SMILES for N-(oxomethylidene)pyrazole-1-sulfonamide is O=C=NS(=O)(=O)n1cccn1.
What is the InChIKey of N-(oxomethylidene)pyrazole-1-sulfonamide?
The InChIKey is WGVVOXNSPLJOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3N3O3S/c8-4-6-11(9,10)7-3-1-2-5-7/h1-3H.
What are the key properties of N-(oxomethylidene)pyrazole-1-sulfonamide?
N-(oxomethylidene)pyrazole-1-sulfonamide has a molecular weight of 173.15 g/mol, XLogP of -0.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxomethylidene)pyrazole-1-sulfonamide is sourced from PubChem (CID 23299107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).