6-cyano-N-(3-pyrazol-1-ylpropyl)pyridine-3-sulfonamide

C12H13N5O2S — CID 115602579

IUPAC6-cyano-N-(3-pyrazol-1-ylpropyl)pyridine-3-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCCCn2cccn2)cn1
InChIInChI=1S/C12H13N5O2S/c13-9-11-3-4-12(10-14-11)20(18,19)16-6-2-8-17-7-1-5-15-17/h1,3-5,7,10,16H,2,6,8H2
InChIKeyVXZQZWZXGWVMKS-UHFFFAOYSA-N
MW291.34 g/mol
LogP0.52
Rot. Bonds6

About 6-cyano-N-(3-pyrazol-1-ylpropyl)pyridine-3-sulfonamide

6-cyano-N-(3-pyrazol-1-ylpropyl)pyridine-3-sulfonamide (PubChem CID 115602579) has the molecular formula C12H13N5O2S and a molecular weight of 291.34 g/mol. Its IUPAC name is 6-cyano-N-(3-pyrazol-1-ylpropyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-cyano-N-(3-pyrazol-1-ylpropyl)pyridine-3-sulfonamide
PubChem CID115602579
Molecular FormulaC12H13N5O2S
Molecular Weight291.34 g/mol
Exact Mass291.08
IUPAC Name6-cyano-N-(3-pyrazol-1-ylpropyl)pyridine-3-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCCCn2cccn2)cn1
InChIInChI=1S/C12H13N5O2S/c13-9-11-3-4-12(10-14-11)20(18,19)16-6-2-8-17-7-1-5-15-17/h1,3-5,7,10,16H,2,6,8H2
InChIKeyVXZQZWZXGWVMKS-UHFFFAOYSA-N
XLogP0.52
TPSA100.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
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

Computed Properties (RDKit)

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

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Related Compounds

6-cyano-N-(2-pyrazol-1-ylethyl)pyridine-3-sulfonamide
CID 114613817
6-cyano-N-pentylpyridine-3-sulfonamide
CID 115602354
6-cyano-N-hexylpyridine-3-sulfonamide
CID 113229666
6-cyano-N-(1-pyrazol-1-ylpropan-2-yl)pyridine-3-sulfonamide
CID 115602607
6-cyano-N-propylpyridine-3-sulfonamide
CID 115602408
4-chloro-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide
CID 22207459
2-phenyl-N-(3-pyrazol-1-ylpropyl)pyrimidine-5-sulfonamide
CID 91650250
6-cyano-N-(3-methylsulfonylpropyl)pyridine-3-sulfonamide
CID 115602709
2-[4-(3-pyrazol-1-ylpropylsulfamoyl)phenoxy]acetamide
CID 100814421
6-cyano-N-[2-(propylamino)ethyl]pyridine-3-sulfonamide
CID 114614843
6-cyano-N-[3-(cyclopropylamino)propyl]pyridine-3-sulfonamide
CID 114614830
7-[(6-cyano-3-pyridinyl)sulfonylamino]heptanoic acid
CID 115776570

Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-(3-pyrazol-1-ylpropyl)pyridine-3-sulfonamide?
The IUPAC name of 6-cyano-N-(3-pyrazol-1-ylpropyl)pyridine-3-sulfonamide (CID 115602579) is 6-cyano-N-(3-pyrazol-1-ylpropyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-cyano-N-(3-pyrazol-1-ylpropyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-cyano-N-(3-pyrazol-1-ylpropyl)pyridine-3-sulfonamide is N#Cc1ccc(S(=O)(=O)NCCCn2cccn2)cn1.
What is the InChIKey of 6-cyano-N-(3-pyrazol-1-ylpropyl)pyridine-3-sulfonamide?
The InChIKey is VXZQZWZXGWVMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2S/c13-9-11-3-4-12(10-14-11)20(18,19)16-6-2-8-17-7-1-5-15-17/h1,3-5,7,10,16H,2,6,8H2.
What are the key properties of 6-cyano-N-(3-pyrazol-1-ylpropyl)pyridine-3-sulfonamide?
6-cyano-N-(3-pyrazol-1-ylpropyl)pyridine-3-sulfonamide has a molecular weight of 291.34 g/mol, XLogP of 0.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-(3-pyrazol-1-ylpropyl)pyridine-3-sulfonamide is sourced from PubChem (CID 115602579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).