2-cyanopyridine-4-sulfonamide

C6H5N3O2S — CID 62926793

IUPAC2-cyanopyridine-4-sulfonamide
SMILESN#Cc1cc(S(N)(=O)=O)ccn1
InChIInChI=1S/C6H5N3O2S/c7-4-5-3-6(1-2-9-5)12(8,10)11/h1-3H,(H2,8,10,11)
InChIKeyDHFJFIBLKDBVJW-UHFFFAOYSA-N
MW183.19 g/mol
LogP-0.40
Rot. Bonds1

About 2-cyanopyridine-4-sulfonamide

2-cyanopyridine-4-sulfonamide (PubChem CID 62926793) has the molecular formula C6H5N3O2S and a molecular weight of 183.19 g/mol. Its IUPAC name is 2-cyanopyridine-4-sulfonamide.

Molecular Properties

Compound Name2-cyanopyridine-4-sulfonamide
PubChem CID62926793
Molecular FormulaC6H5N3O2S
Molecular Weight183.19 g/mol
Exact Mass183.01
IUPAC Name2-cyanopyridine-4-sulfonamide
SMILESN#Cc1cc(S(N)(=O)=O)ccn1
InChIInChI=1S/C6H5N3O2S/c7-4-5-3-6(1-2-9-5)12(8,10)11/h1-3H,(H2,8,10,11)
InChIKeyDHFJFIBLKDBVJW-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 2-cyanopyridine-4-sulfonamide?
The IUPAC name of 2-cyanopyridine-4-sulfonamide (CID 62926793) is 2-cyanopyridine-4-sulfonamide.
What is the SMILES notation for 2-cyanopyridine-4-sulfonamide?
The canonical SMILES for 2-cyanopyridine-4-sulfonamide is N#Cc1cc(S(N)(=O)=O)ccn1.
What is the InChIKey of 2-cyanopyridine-4-sulfonamide?
The InChIKey is DHFJFIBLKDBVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O2S/c7-4-5-3-6(1-2-9-5)12(8,10)11/h1-3H,(H2,8,10,11).
What are the key properties of 2-cyanopyridine-4-sulfonamide?
2-cyanopyridine-4-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 2-cyanopyridine-4-sulfonamide is sourced from PubChem (CID 62926793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).