oxo(1H-pyrazol-4-yl)methanesulfonamide

C4H5N3O3S — CID 174747730

IUPACoxo(1H-pyrazol-4-yl)methanesulfonamide
SMILESNS(=O)(=O)C(=O)c1cn[nH]c1
InChIInChI=1S/C4H5N3O3S/c5-11(9,10)4(8)3-1-6-7-2-3/h1-2H,(H,6,7)(H2,5,9,10)
InChIKeyDDQWLVWFPXSQAL-UHFFFAOYSA-N
MW175.17 g/mol
LogP-1.16
Rot. Bonds1

About oxo(1H-pyrazol-4-yl)methanesulfonamide

oxo(1H-pyrazol-4-yl)methanesulfonamide (PubChem CID 174747730) has the molecular formula C4H5N3O3S and a molecular weight of 175.17 g/mol. Its IUPAC name is oxo(1H-pyrazol-4-yl)methanesulfonamide.

Molecular Properties

Compound Nameoxo(1H-pyrazol-4-yl)methanesulfonamide
PubChem CID174747730
Molecular FormulaC4H5N3O3S
Molecular Weight175.17 g/mol
Exact Mass175.01
IUPAC Nameoxo(1H-pyrazol-4-yl)methanesulfonamide
SMILESNS(=O)(=O)C(=O)c1cn[nH]c1
InChIInChI=1S/C4H5N3O3S/c5-11(9,10)4(8)3-1-6-7-2-3/h1-2H,(H,6,7)(H2,5,9,10)
InChIKeyDDQWLVWFPXSQAL-UHFFFAOYSA-N
XLogP-1.16
TPSA105.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.17
LogP ≤ 5-1.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of oxo(1H-pyrazol-4-yl)methanesulfonamide?
The IUPAC name of oxo(1H-pyrazol-4-yl)methanesulfonamide (CID 174747730) is oxo(1H-pyrazol-4-yl)methanesulfonamide.
What is the SMILES notation for oxo(1H-pyrazol-4-yl)methanesulfonamide?
The canonical SMILES for oxo(1H-pyrazol-4-yl)methanesulfonamide is NS(=O)(=O)C(=O)c1cn[nH]c1.
What is the InChIKey of oxo(1H-pyrazol-4-yl)methanesulfonamide?
The InChIKey is DDQWLVWFPXSQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O3S/c5-11(9,10)4(8)3-1-6-7-2-3/h1-2H,(H,6,7)(H2,5,9,10).
What are the key properties of oxo(1H-pyrazol-4-yl)methanesulfonamide?
oxo(1H-pyrazol-4-yl)methanesulfonamide has a molecular weight of 175.17 g/mol, XLogP of -1.16, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxo(1H-pyrazol-4-yl)methanesulfonamide is sourced from PubChem (CID 174747730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).