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

C18H21ClN4O2S2 — CID 46823308

IUPACN-(1-benzylpiperidin-4-yl)-2,1,3-benzothiadiazole-4-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(NC1CCN(Cc2ccccc2)CC1)c1cccc2nsnc12
InChIInChI=1S/C18H20N4O2S2.ClH/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;1H
InChIKeyJMTPDCIJECXOOZ-UHFFFAOYSA-N
MW424.98 g/mol
LogP3.06
Rot. Bonds5

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

N-(1-benzylpiperidin-4-yl)-2,1,3-benzothiadiazole-4-sulfonamide;hydrochloride (PubChem CID 46823308) has the molecular formula C18H21ClN4O2S2 and a molecular weight of 424.98 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2,1,3-benzothiadiazole-4-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2,1,3-benzothiadiazole-4-sulfonamide;hydrochloride
PubChem CID46823308
Molecular FormulaC18H21ClN4O2S2
Molecular Weight424.98 g/mol
Exact Mass424.08
IUPAC NameN-(1-benzylpiperidin-4-yl)-2,1,3-benzothiadiazole-4-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(NC1CCN(Cc2ccccc2)CC1)c1cccc2nsnc12
InChIInChI=1S/C18H20N4O2S2.ClH/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;1H
InChIKeyJMTPDCIJECXOOZ-UHFFFAOYSA-N
XLogP3.06
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.98
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1-benzylpiperidin-4-yl)-2,1,3-benzothiadiazole-4-sulfonamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-propylpiperidin-4-yl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 22772640
(2S)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-(1-benzylpiperidin-4-yl)-3-phenylpropanamide
CID 98209503
N-(1-benzylpiperidin-4-yl)-2-bromobenzenesulfonamide
CID 40562452
N-(1-benzylpiperidin-4-yl)-2-nitrobenzenesulfonamide;hydrochloride
CID 18197763
N-(1-benzylpiperidin-4-yl)-2-methoxybenzenesulfonamide
CID 51169998
[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)pyrrolidin-2-yl]-(4-benzylpiperazin-1-yl)methanone
CID 20862264
N-(1-benzylpiperidin-4-yl)-3-chlorobenzenesulfonamide;hydrochloride
CID 18197766
N-(1-benzylpyrrolidin-3-yl)naphthalene-1-sulfonamide
CID 3791981
N-(1-benzylpiperidin-4-yl)-2-(hydroxymethyl)thiophene-3-sulfonamide
CID 114132627
4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]sulfonyl-2,1,3-benzothiadiazole;hydrochloride
CID 17338191
N-(1-benzylpyrrolidin-3-yl)-2-bromobenzenesulfonamide
CID 5147376
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 22202444

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2,1,3-benzothiadiazole-4-sulfonamide;hydrochloride?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2,1,3-benzothiadiazole-4-sulfonamide;hydrochloride (CID 46823308) is N-(1-benzylpiperidin-4-yl)-2,1,3-benzothiadiazole-4-sulfonamide;hydrochloride.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2,1,3-benzothiadiazole-4-sulfonamide;hydrochloride?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2,1,3-benzothiadiazole-4-sulfonamide;hydrochloride is Cl.O=S(=O)(NC1CCN(Cc2ccccc2)CC1)c1cccc2nsnc12.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2,1,3-benzothiadiazole-4-sulfonamide;hydrochloride?
The InChIKey is JMTPDCIJECXOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S2.ClH/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;1H.
What are the key properties of N-(1-benzylpiperidin-4-yl)-2,1,3-benzothiadiazole-4-sulfonamide;hydrochloride?
N-(1-benzylpiperidin-4-yl)-2,1,3-benzothiadiazole-4-sulfonamide;hydrochloride has a molecular weight of 424.98 g/mol, XLogP of 3.06, 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;hydrochloride is sourced from PubChem (CID 46823308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).