6-cyano-N-(1-methylpyrazol-4-yl)pyridine-3-sulfonamide

C10H9N5O2S — CID 113229615

IUPAC6-cyano-N-(1-methylpyrazol-4-yl)pyridine-3-sulfonamide
SMILESCn1cc(NS(=O)(=O)c2ccc(C#N)nc2)cn1
InChIInChI=1S/C10H9N5O2S/c1-15-7-9(5-13-15)14-18(16,17)10-3-2-8(4-11)12-6-10/h2-3,5-7,14H,1H3
InChIKeyVQFLWQGEQTXYBD-UHFFFAOYSA-N
MW263.28 g/mol
LogP0.49
Rot. Bonds3

About 6-cyano-N-(1-methylpyrazol-4-yl)pyridine-3-sulfonamide

6-cyano-N-(1-methylpyrazol-4-yl)pyridine-3-sulfonamide (PubChem CID 113229615) has the molecular formula C10H9N5O2S and a molecular weight of 263.28 g/mol. Its IUPAC name is 6-cyano-N-(1-methylpyrazol-4-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-cyano-N-(1-methylpyrazol-4-yl)pyridine-3-sulfonamide
PubChem CID113229615
Molecular FormulaC10H9N5O2S
Molecular Weight263.28 g/mol
Exact Mass263.05
IUPAC Name6-cyano-N-(1-methylpyrazol-4-yl)pyridine-3-sulfonamide
SMILESCn1cc(NS(=O)(=O)c2ccc(C#N)nc2)cn1
InChIInChI=1S/C10H9N5O2S/c1-15-7-9(5-13-15)14-18(16,17)10-3-2-8(4-11)12-6-10/h2-3,5-7,14H,1H3
InChIKeyVQFLWQGEQTXYBD-UHFFFAOYSA-N
XLogP0.49
TPSA100.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-(1-methylpyrazol-4-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-cyano-N-(1-methylpyrazol-4-yl)pyridine-3-sulfonamide (CID 113229615) is 6-cyano-N-(1-methylpyrazol-4-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-cyano-N-(1-methylpyrazol-4-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-cyano-N-(1-methylpyrazol-4-yl)pyridine-3-sulfonamide is Cn1cc(NS(=O)(=O)c2ccc(C#N)nc2)cn1.
What is the InChIKey of 6-cyano-N-(1-methylpyrazol-4-yl)pyridine-3-sulfonamide?
The InChIKey is VQFLWQGEQTXYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O2S/c1-15-7-9(5-13-15)14-18(16,17)10-3-2-8(4-11)12-6-10/h2-3,5-7,14H,1H3.
What are the key properties of 6-cyano-N-(1-methylpyrazol-4-yl)pyridine-3-sulfonamide?
6-cyano-N-(1-methylpyrazol-4-yl)pyridine-3-sulfonamide has a molecular weight of 263.28 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-(1-methylpyrazol-4-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 113229615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).