6-cyano-N-(1-pyrazol-1-ylpropan-2-yl)pyridine-3-sulfonamide

C12H13N5O2S — CID 115602607

IUPAC6-cyano-N-(1-pyrazol-1-ylpropan-2-yl)pyridine-3-sulfonamide
SMILESCC(Cn1cccn1)NS(=O)(=O)c1ccc(C#N)nc1
InChIInChI=1S/C12H13N5O2S/c1-10(9-17-6-2-5-15-17)16-20(18,19)12-4-3-11(7-13)14-8-12/h2-6,8,10,16H,9H2,1H3
InChIKeyGAPOQSIRECDMFL-UHFFFAOYSA-N
MW291.34 g/mol
LogP0.52
Rot. Bonds5

About 6-cyano-N-(1-pyrazol-1-ylpropan-2-yl)pyridine-3-sulfonamide

6-cyano-N-(1-pyrazol-1-ylpropan-2-yl)pyridine-3-sulfonamide (PubChem CID 115602607) has the molecular formula C12H13N5O2S and a molecular weight of 291.34 g/mol. Its IUPAC name is 6-cyano-N-(1-pyrazol-1-ylpropan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-cyano-N-(1-pyrazol-1-ylpropan-2-yl)pyridine-3-sulfonamide
PubChem CID115602607
Molecular FormulaC12H13N5O2S
Molecular Weight291.34 g/mol
Exact Mass291.08
IUPAC Name6-cyano-N-(1-pyrazol-1-ylpropan-2-yl)pyridine-3-sulfonamide
SMILESCC(Cn1cccn1)NS(=O)(=O)c1ccc(C#N)nc1
InChIInChI=1S/C12H13N5O2S/c1-10(9-17-6-2-5-15-17)16-20(18,19)12-4-3-11(7-13)14-8-12/h2-6,8,10,16H,9H2,1H3
InChIKeyGAPOQSIRECDMFL-UHFFFAOYSA-N
XLogP0.52
TPSA100.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-hydrazinyl-N-(1-pyrazol-1-ylpropan-2-yl)pyridine-3-sulfonamide
CID 61460819
6-cyano-N-(2-pyrazol-1-ylethyl)pyridine-3-sulfonamide
CID 114613817
2-chloro-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-5-sulfonamide
CID 61052500
6-cyano-N-(3-pyrazol-1-ylpropyl)pyridine-3-sulfonamide
CID 115602579
3-amino-4-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide
CID 61459524
5-[[(2R)-2-methyl-3-pyrazol-1-ylpropyl]amino]pyridine-2-carbonitrile
CID 97119021
N-[(2S)-1-pyrazol-1-ylpropan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 94023228
N-(1-pyrazol-1-ylpropan-2-yl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421967
N-propyl-4-[[(2S)-1-pyrazol-1-ylpropan-2-yl]sulfamoyl]benzamide
CID 97119546
N-propyl-4-(1-pyrazol-1-ylpropan-2-ylsulfamoyl)benzamide
CID 70724305
6-cyano-N-propylpyridine-3-sulfonamide
CID 115602408
6-cyano-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-sulfonamide
CID 115753732

Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-(1-pyrazol-1-ylpropan-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-cyano-N-(1-pyrazol-1-ylpropan-2-yl)pyridine-3-sulfonamide (CID 115602607) is 6-cyano-N-(1-pyrazol-1-ylpropan-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-cyano-N-(1-pyrazol-1-ylpropan-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-cyano-N-(1-pyrazol-1-ylpropan-2-yl)pyridine-3-sulfonamide is CC(Cn1cccn1)NS(=O)(=O)c1ccc(C#N)nc1.
What is the InChIKey of 6-cyano-N-(1-pyrazol-1-ylpropan-2-yl)pyridine-3-sulfonamide?
The InChIKey is GAPOQSIRECDMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2S/c1-10(9-17-6-2-5-15-17)16-20(18,19)12-4-3-11(7-13)14-8-12/h2-6,8,10,16H,9H2,1H3.
What are the key properties of 6-cyano-N-(1-pyrazol-1-ylpropan-2-yl)pyridine-3-sulfonamide?
6-cyano-N-(1-pyrazol-1-ylpropan-2-yl)pyridine-3-sulfonamide has a molecular weight of 291.34 g/mol, XLogP of 0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-(1-pyrazol-1-ylpropan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 115602607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).