1-oxidopyridin-1-ium;sulfonylurea

C6H7N3O4S — CID 88606927

IUPAC1-oxidopyridin-1-ium;sulfonylurea
SMILESNC(=O)N=S(=O)=O.[O-][n+]1ccccc1
InChIInChI=1S/C5H5NO.CH2N2O3S/c7-6-4-2-1-3-5-6;2-1(4)3-7(5)6/h1-5H;(H2,2,4)
InChIKeyIUPKJTVXCFBGBR-UHFFFAOYSA-N
MW217.21 g/mol
LogP-0.55
Rot. Bonds

About 1-oxidopyridin-1-ium;sulfonylurea

1-oxidopyridin-1-ium;sulfonylurea (PubChem CID 88606927) has the molecular formula C6H7N3O4S and a molecular weight of 217.21 g/mol. Its IUPAC name is 1-oxidopyridin-1-ium;sulfonylurea.

Molecular Properties

Compound Name1-oxidopyridin-1-ium;sulfonylurea
PubChem CID88606927
Molecular FormulaC6H7N3O4S
Molecular Weight217.21 g/mol
Exact Mass217.02
IUPAC Name1-oxidopyridin-1-ium;sulfonylurea
SMILESNC(=O)N=S(=O)=O.[O-][n+]1ccccc1
InChIInChI=1S/C5H5NO.CH2N2O3S/c7-6-4-2-1-3-5-6;2-1(4)3-7(5)6/h1-5H;(H2,2,4)
InChIKeyIUPKJTVXCFBGBR-UHFFFAOYSA-N
XLogP-0.55
TPSA116.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.21
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-oxidopyridin-1-ium;sulfonylurea?
The IUPAC name of 1-oxidopyridin-1-ium;sulfonylurea (CID 88606927) is 1-oxidopyridin-1-ium;sulfonylurea.
What is the SMILES notation for 1-oxidopyridin-1-ium;sulfonylurea?
The canonical SMILES for 1-oxidopyridin-1-ium;sulfonylurea is NC(=O)N=S(=O)=O.[O-][n+]1ccccc1.
What is the InChIKey of 1-oxidopyridin-1-ium;sulfonylurea?
The InChIKey is IUPKJTVXCFBGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO.CH2N2O3S/c7-6-4-2-1-3-5-6;2-1(4)3-7(5)6/h1-5H;(H2,2,4).
What are the key properties of 1-oxidopyridin-1-ium;sulfonylurea?
1-oxidopyridin-1-ium;sulfonylurea has a molecular weight of 217.21 g/mol, XLogP of -0.55, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxidopyridin-1-ium;sulfonylurea is sourced from PubChem (CID 88606927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).