4-[2-(1H-imidazol-2-yl)piperidin-1-yl]sulfonyl-2,1,3-benzothiadiazole

C14H15N5O2S2 — CID 119037593

IUPAC4-[2-(1H-imidazol-2-yl)piperidin-1-yl]sulfonyl-2,1,3-benzothiadiazole
SMILESO=S(=O)(c1cccc2nsnc12)N1CCCCC1c1ncc[nH]1
InChIInChI=1S/C14H15N5O2S2/c20-23(21,12-6-3-4-10-13(12)18-22-17-10)19-9-2-1-5-11(19)14-15-7-8-16-14/h3-4,6-8,11H,1-2,5,9H2,(H,15,16)
InChIKeyPNSGKLOGIZDCRS-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.33
Rot. Bonds3

About 4-[2-(1H-imidazol-2-yl)piperidin-1-yl]sulfonyl-2,1,3-benzothiadiazole

4-[2-(1H-imidazol-2-yl)piperidin-1-yl]sulfonyl-2,1,3-benzothiadiazole (PubChem CID 119037593) has the molecular formula C14H15N5O2S2 and a molecular weight of 349.44 g/mol. Its IUPAC name is 4-[2-(1H-imidazol-2-yl)piperidin-1-yl]sulfonyl-2,1,3-benzothiadiazole.

Molecular Properties

Compound Name4-[2-(1H-imidazol-2-yl)piperidin-1-yl]sulfonyl-2,1,3-benzothiadiazole
PubChem CID119037593
Molecular FormulaC14H15N5O2S2
Molecular Weight349.44 g/mol
Exact Mass349.07
IUPAC Name4-[2-(1H-imidazol-2-yl)piperidin-1-yl]sulfonyl-2,1,3-benzothiadiazole
SMILESO=S(=O)(c1cccc2nsnc12)N1CCCCC1c1ncc[nH]1
InChIInChI=1S/C14H15N5O2S2/c20-23(21,12-6-3-4-10-13(12)18-22-17-10)19-9-2-1-5-11(19)14-15-7-8-16-14/h3-4,6-8,11H,1-2,5,9H2,(H,15,16)
InChIKeyPNSGKLOGIZDCRS-UHFFFAOYSA-N
XLogP2.33
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1H-imidazol-2-yl)piperidin-1-yl]sulfonyl-2,1,3-benzothiadiazole?
The IUPAC name of 4-[2-(1H-imidazol-2-yl)piperidin-1-yl]sulfonyl-2,1,3-benzothiadiazole (CID 119037593) is 4-[2-(1H-imidazol-2-yl)piperidin-1-yl]sulfonyl-2,1,3-benzothiadiazole.
What is the SMILES notation for 4-[2-(1H-imidazol-2-yl)piperidin-1-yl]sulfonyl-2,1,3-benzothiadiazole?
The canonical SMILES for 4-[2-(1H-imidazol-2-yl)piperidin-1-yl]sulfonyl-2,1,3-benzothiadiazole is O=S(=O)(c1cccc2nsnc12)N1CCCCC1c1ncc[nH]1.
What is the InChIKey of 4-[2-(1H-imidazol-2-yl)piperidin-1-yl]sulfonyl-2,1,3-benzothiadiazole?
The InChIKey is PNSGKLOGIZDCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2S2/c20-23(21,12-6-3-4-10-13(12)18-22-17-10)19-9-2-1-5-11(19)14-15-7-8-16-14/h3-4,6-8,11H,1-2,5,9H2,(H,15,16).
What are the key properties of 4-[2-(1H-imidazol-2-yl)piperidin-1-yl]sulfonyl-2,1,3-benzothiadiazole?
4-[2-(1H-imidazol-2-yl)piperidin-1-yl]sulfonyl-2,1,3-benzothiadiazole has a molecular weight of 349.44 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1H-imidazol-2-yl)piperidin-1-yl]sulfonyl-2,1,3-benzothiadiazole is sourced from PubChem (CID 119037593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).