N-(1-benzylpiperidin-4-yl)-2,1,3-benzothiadiazole-4-sulfonamide

C18H20N4O2S2 — CID 2822440

IUPACN-(1-benzylpiperidin-4-yl)-2,1,3-benzothiadiazole-4-sulfonamide
SMILESO=S(=O)(NC1CCN(Cc2ccccc2)CC1)c1cccc2nsnc12
InChIInChI=1S/C18H20N4O2S2/c23-26(24,17-8-4-7-16-18(17)20-25-19-16)21-15-9-11-22(12-10-15)13-14-5-2-1-3-6-14/h1-8,15,21H,9-13H2
InChIKeyJEJFJKULHZHDCY-UHFFFAOYSA-N
MW388.52 g/mol
LogP2.63
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-2,1,3-benzothiadiazole-4-sulfonamide

N-(1-benzylpiperidin-4-yl)-2,1,3-benzothiadiazole-4-sulfonamide (PubChem CID 2822440) has the molecular formula C18H20N4O2S2 and a molecular weight of 388.52 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2,1,3-benzothiadiazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2,1,3-benzothiadiazole-4-sulfonamide
PubChem CID2822440
Molecular FormulaC18H20N4O2S2
Molecular Weight388.52 g/mol
Exact Mass388.10
IUPAC NameN-(1-benzylpiperidin-4-yl)-2,1,3-benzothiadiazole-4-sulfonamide
SMILESO=S(=O)(NC1CCN(Cc2ccccc2)CC1)c1cccc2nsnc12
InChIInChI=1S/C18H20N4O2S2/c23-26(24,17-8-4-7-16-18(17)20-25-19-16)21-15-9-11-22(12-10-15)13-14-5-2-1-3-6-14/h1-8,15,21H,9-13H2
InChIKeyJEJFJKULHZHDCY-UHFFFAOYSA-N
XLogP2.63
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2,1,3-benzothiadiazole-4-sulfonamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2,1,3-benzothiadiazole-4-sulfonamide (CID 2822440) is N-(1-benzylpiperidin-4-yl)-2,1,3-benzothiadiazole-4-sulfonamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2,1,3-benzothiadiazole-4-sulfonamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2,1,3-benzothiadiazole-4-sulfonamide is O=S(=O)(NC1CCN(Cc2ccccc2)CC1)c1cccc2nsnc12.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2,1,3-benzothiadiazole-4-sulfonamide?
The InChIKey is JEJFJKULHZHDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S2/c23-26(24,17-8-4-7-16-18(17)20-25-19-16)21-15-9-11-22(12-10-15)13-14-5-2-1-3-6-14/h1-8,15,21H,9-13H2.
What are the key properties of N-(1-benzylpiperidin-4-yl)-2,1,3-benzothiadiazole-4-sulfonamide?
N-(1-benzylpiperidin-4-yl)-2,1,3-benzothiadiazole-4-sulfonamide has a molecular weight of 388.52 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2,1,3-benzothiadiazole-4-sulfonamide is sourced from PubChem (CID 2822440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).