5-(3-hydroxyprop-1-ynyl)-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-3-sulfonamide

C11H10N4O4S — CID 106407075

IUPAC5-(3-hydroxyprop-1-ynyl)-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-3-sulfonamide
SMILESO=S(=O)(NCc1ncon1)c1cncc(C#CCO)c1
InChIInChI=1S/C11H10N4O4S/c16-3-1-2-9-4-10(6-12-5-9)20(17,18)14-7-11-13-8-19-15-11/h4-6,8,14,16H,3,7H2
InChIKeyGVNVJMRJHWGVAW-UHFFFAOYSA-N
MW294.29 g/mol
LogP-0.71
Rot. Bonds4

About 5-(3-hydroxyprop-1-ynyl)-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-3-sulfonamide

5-(3-hydroxyprop-1-ynyl)-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-3-sulfonamide (PubChem CID 106407075) has the molecular formula C11H10N4O4S and a molecular weight of 294.29 g/mol. Its IUPAC name is 5-(3-hydroxyprop-1-ynyl)-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-(3-hydroxyprop-1-ynyl)-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-3-sulfonamide
PubChem CID106407075
Molecular FormulaC11H10N4O4S
Molecular Weight294.29 g/mol
Exact Mass294.04
IUPAC Name5-(3-hydroxyprop-1-ynyl)-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-3-sulfonamide
SMILESO=S(=O)(NCc1ncon1)c1cncc(C#CCO)c1
InChIInChI=1S/C11H10N4O4S/c16-3-1-2-9-4-10(6-12-5-9)20(17,18)14-7-11-13-8-19-15-11/h4-6,8,14,16H,3,7H2
InChIKeyGVNVJMRJHWGVAW-UHFFFAOYSA-N
XLogP-0.71
TPSA118.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.29
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-(3-hydroxyprop-1-ynyl)-N-(pyridazin-3-ylmethyl)pyridine-3-sulfonamide
CID 106897522
3-[[5-(3-hydroxyprop-1-ynyl)-3-pyridinyl]sulfonylamino]-3-methylbutanamide
CID 106098233
3-chloro-4-(hydroxymethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106410526
1-(2-hydroxyethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-sulfonamide
CID 114185407
3-amino-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 114182887
N-hexan-2-yl-5-(3-hydroxyprop-1-ynyl)pyridine-3-sulfonamide
CID 62199719
4-(2-aminoethoxy)-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106410993
2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
CID 106406637
4-(1-aminoethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106401433
4-amino-3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106402302
5-(3-hydroxyprop-1-ynyl)-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-sulfonamide
CID 106217869
5-[(cyclopropylamino)methyl]-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-3-sulfonamide
CID 106410840

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxyprop-1-ynyl)-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-3-sulfonamide?
The IUPAC name of 5-(3-hydroxyprop-1-ynyl)-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-3-sulfonamide (CID 106407075) is 5-(3-hydroxyprop-1-ynyl)-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-(3-hydroxyprop-1-ynyl)-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-(3-hydroxyprop-1-ynyl)-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-3-sulfonamide is O=S(=O)(NCc1ncon1)c1cncc(C#CCO)c1.
What is the InChIKey of 5-(3-hydroxyprop-1-ynyl)-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-3-sulfonamide?
The InChIKey is GVNVJMRJHWGVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O4S/c16-3-1-2-9-4-10(6-12-5-9)20(17,18)14-7-11-13-8-19-15-11/h4-6,8,14,16H,3,7H2.
What are the key properties of 5-(3-hydroxyprop-1-ynyl)-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-3-sulfonamide?
5-(3-hydroxyprop-1-ynyl)-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-3-sulfonamide has a molecular weight of 294.29 g/mol, XLogP of -0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxyprop-1-ynyl)-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 106407075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).