4-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-sulfonamide

C14H17N5O2S — CID 73357105

IUPAC4-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cnccc1N1CCN(c2ccccn2)CC1
InChIInChI=1S/C14H17N5O2S/c15-22(20,21)13-11-16-6-4-12(13)18-7-9-19(10-8-18)14-3-1-2-5-17-14/h1-6,11H,7-10H2,(H2,15,20,21)
InChIKeyVCAZFWVXVKEZAG-UHFFFAOYSA-N
MW319.39 g/mol
LogP0.45
Rot. Bonds3

About 4-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-sulfonamide

4-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-sulfonamide (PubChem CID 73357105) has the molecular formula C14H17N5O2S and a molecular weight of 319.39 g/mol. Its IUPAC name is 4-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name4-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-sulfonamide
PubChem CID73357105
Molecular FormulaC14H17N5O2S
Molecular Weight319.39 g/mol
Exact Mass319.11
IUPAC Name4-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cnccc1N1CCN(c2ccccn2)CC1
InChIInChI=1S/C14H17N5O2S/c15-22(20,21)13-11-16-6-4-12(13)18-7-9-19(10-8-18)14-3-1-2-5-17-14/h1-6,11H,7-10H2,(H2,15,20,21)
InChIKeyVCAZFWVXVKEZAG-UHFFFAOYSA-N
XLogP0.45
TPSA92.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-sulfonamide?
The IUPAC name of 4-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-sulfonamide (CID 73357105) is 4-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 4-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-sulfonamide?
The canonical SMILES for 4-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-sulfonamide is NS(=O)(=O)c1cnccc1N1CCN(c2ccccn2)CC1.
What is the InChIKey of 4-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-sulfonamide?
The InChIKey is VCAZFWVXVKEZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2S/c15-22(20,21)13-11-16-6-4-12(13)18-7-9-19(10-8-18)14-3-1-2-5-17-14/h1-6,11H,7-10H2,(H2,15,20,21).
What are the key properties of 4-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-sulfonamide?
4-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-sulfonamide has a molecular weight of 319.39 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 73357105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).