[4-(3-oxopropyl)-2-pyridinyl]sulfonylformamide

C9H10N2O4S — CID 173089995

IUPAC[4-(3-oxopropyl)-2-pyridinyl]sulfonylformamide
SMILESNC(=O)S(=O)(=O)c1cc(CCC=O)ccn1
InChIInChI=1S/C9H10N2O4S/c10-9(13)16(14,15)8-6-7(2-1-5-12)3-4-11-8/h3-6H,1-2H2,(H2,10,13)
InChIKeyVZSLKSNUMVGRIC-UHFFFAOYSA-N
MW242.26 g/mol
LogP0.07
Rot. Bonds4

About [4-(3-oxopropyl)-2-pyridinyl]sulfonylformamide

[4-(3-oxopropyl)-2-pyridinyl]sulfonylformamide (PubChem CID 173089995) has the molecular formula C9H10N2O4S and a molecular weight of 242.26 g/mol. Its IUPAC name is [4-(3-oxopropyl)-2-pyridinyl]sulfonylformamide.

Molecular Properties

Compound Name[4-(3-oxopropyl)-2-pyridinyl]sulfonylformamide
PubChem CID173089995
Molecular FormulaC9H10N2O4S
Molecular Weight242.26 g/mol
Exact Mass242.04
IUPAC Name[4-(3-oxopropyl)-2-pyridinyl]sulfonylformamide
SMILESNC(=O)S(=O)(=O)c1cc(CCC=O)ccn1
InChIInChI=1S/C9H10N2O4S/c10-9(13)16(14,15)8-6-7(2-1-5-12)3-4-11-8/h3-6H,1-2H2,(H2,10,13)
InChIKeyVZSLKSNUMVGRIC-UHFFFAOYSA-N
XLogP0.07
TPSA107.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(3-oxopropyl)-2-pyridinyl]sulfonylformamide?
The IUPAC name of [4-(3-oxopropyl)-2-pyridinyl]sulfonylformamide (CID 173089995) is [4-(3-oxopropyl)-2-pyridinyl]sulfonylformamide.
What is the SMILES notation for [4-(3-oxopropyl)-2-pyridinyl]sulfonylformamide?
The canonical SMILES for [4-(3-oxopropyl)-2-pyridinyl]sulfonylformamide is NC(=O)S(=O)(=O)c1cc(CCC=O)ccn1.
What is the InChIKey of [4-(3-oxopropyl)-2-pyridinyl]sulfonylformamide?
The InChIKey is VZSLKSNUMVGRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4S/c10-9(13)16(14,15)8-6-7(2-1-5-12)3-4-11-8/h3-6H,1-2H2,(H2,10,13).
What are the key properties of [4-(3-oxopropyl)-2-pyridinyl]sulfonylformamide?
[4-(3-oxopropyl)-2-pyridinyl]sulfonylformamide has a molecular weight of 242.26 g/mol, XLogP of 0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-oxopropyl)-2-pyridinyl]sulfonylformamide is sourced from PubChem (CID 173089995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).