5-cyanopyridine-3-sulfonamide

C6H5N3O2S — CID 119031917

IUPAC5-cyanopyridine-3-sulfonamide
SMILESN#Cc1cncc(S(N)(=O)=O)c1
InChIInChI=1S/C6H5N3O2S/c7-2-5-1-6(4-9-3-5)12(8,10)11/h1,3-4H,(H2,8,10,11)
InChIKeyLRWIPWYDFZOGAW-UHFFFAOYSA-N
MW183.19 g/mol
LogP-0.40
Rot. Bonds1

About 5-cyanopyridine-3-sulfonamide

5-cyanopyridine-3-sulfonamide (PubChem CID 119031917) has the molecular formula C6H5N3O2S and a molecular weight of 183.19 g/mol. Its IUPAC name is 5-cyanopyridine-3-sulfonamide.

Molecular Properties

Compound Name5-cyanopyridine-3-sulfonamide
PubChem CID119031917
Molecular FormulaC6H5N3O2S
Molecular Weight183.19 g/mol
Exact Mass183.01
IUPAC Name5-cyanopyridine-3-sulfonamide
SMILESN#Cc1cncc(S(N)(=O)=O)c1
InChIInChI=1S/C6H5N3O2S/c7-2-5-1-6(4-9-3-5)12(8,10)11/h1,3-4H,(H2,8,10,11)
InChIKeyLRWIPWYDFZOGAW-UHFFFAOYSA-N
XLogP-0.40
TPSA96.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.19
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyanopyridine-3-sulfonamide?
The IUPAC name of 5-cyanopyridine-3-sulfonamide (CID 119031917) is 5-cyanopyridine-3-sulfonamide.
What is the SMILES notation for 5-cyanopyridine-3-sulfonamide?
The canonical SMILES for 5-cyanopyridine-3-sulfonamide is N#Cc1cncc(S(N)(=O)=O)c1.
What is the InChIKey of 5-cyanopyridine-3-sulfonamide?
The InChIKey is LRWIPWYDFZOGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O2S/c7-2-5-1-6(4-9-3-5)12(8,10)11/h1,3-4H,(H2,8,10,11).
What are the key properties of 5-cyanopyridine-3-sulfonamide?
5-cyanopyridine-3-sulfonamide has a molecular weight of 183.19 g/mol, XLogP of -0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyanopyridine-3-sulfonamide is sourced from PubChem (CID 119031917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).