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

C14H20N4O2S2 — CID 22772640

IUPACN-(1-propylpiperidin-4-yl)-2,1,3-benzothiadiazole-4-sulfonamide
SMILESCCCN1CCC(NS(=O)(=O)c2cccc3nsnc23)CC1
InChIInChI=1S/C14H20N4O2S2/c1-2-8-18-9-6-11(7-10-18)17-22(19,20)13-5-3-4-12-14(13)16-21-15-12/h3-5,11,17H,2,6-10H2,1H3
InChIKeyXVEPQEARKRWKQJ-UHFFFAOYSA-N
MW340.47 g/mol
LogP1.84
Rot. Bonds5

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

N-(1-propylpiperidin-4-yl)-2,1,3-benzothiadiazole-4-sulfonamide (PubChem CID 22772640) has the molecular formula C14H20N4O2S2 and a molecular weight of 340.47 g/mol. Its IUPAC name is N-(1-propylpiperidin-4-yl)-2,1,3-benzothiadiazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1-propylpiperidin-4-yl)-2,1,3-benzothiadiazole-4-sulfonamide
PubChem CID22772640
Molecular FormulaC14H20N4O2S2
Molecular Weight340.47 g/mol
Exact Mass340.10
IUPAC NameN-(1-propylpiperidin-4-yl)-2,1,3-benzothiadiazole-4-sulfonamide
SMILESCCCN1CCC(NS(=O)(=O)c2cccc3nsnc23)CC1
InChIInChI=1S/C14H20N4O2S2/c1-2-8-18-9-6-11(7-10-18)17-22(19,20)13-5-3-4-12-14(13)16-21-15-12/h3-5,11,17H,2,6-10H2,1H3
InChIKeyXVEPQEARKRWKQJ-UHFFFAOYSA-N
XLogP1.84
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1-propylpiperidin-4-yl)-2,1,3-benzothiadiazole-4-sulfonamide 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-benzylpiperidin-4-yl)-2,1,3-benzothiadiazole-4-sulfonamide;hydrochloride
CID 46823308
2-(aminomethyl)-N-(1-propylpiperidin-4-yl)pyridine-3-sulfonamide
CID 106594162
2-nitro-N-(1-propylpiperidin-4-yl)benzenesulfonamide
CID 22772629
1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-methylpyrrolidin-3-amine
CID 115300390
N-butyl-2,1,3-benzothiadiazole-4-sulfonamide
CID 3377484
3-[(1-propylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 60709073
2,4-dibromo-N-(1-propylpiperidin-4-yl)benzenesulfonamide
CID 61059201
2,5-dibromo-N-(1-propylpiperidin-4-yl)benzenesulfonamide
CID 60664808
4-methylsulfonyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 55538300
(2S)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-(1-benzylpiperidin-4-yl)-3-phenylpropanamide
CID 98209503
N-(2-aminopropyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 63732959
N-(2,1,3-benzothiadiazol-4-ylsulfonyl)pentanamide
CID 47271327

Frequently Asked Questions

What is the IUPAC name of N-(1-propylpiperidin-4-yl)-2,1,3-benzothiadiazole-4-sulfonamide?
The IUPAC name of N-(1-propylpiperidin-4-yl)-2,1,3-benzothiadiazole-4-sulfonamide (CID 22772640) is N-(1-propylpiperidin-4-yl)-2,1,3-benzothiadiazole-4-sulfonamide.
What is the SMILES notation for N-(1-propylpiperidin-4-yl)-2,1,3-benzothiadiazole-4-sulfonamide?
The canonical SMILES for N-(1-propylpiperidin-4-yl)-2,1,3-benzothiadiazole-4-sulfonamide is CCCN1CCC(NS(=O)(=O)c2cccc3nsnc23)CC1.
What is the InChIKey of N-(1-propylpiperidin-4-yl)-2,1,3-benzothiadiazole-4-sulfonamide?
The InChIKey is XVEPQEARKRWKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S2/c1-2-8-18-9-6-11(7-10-18)17-22(19,20)13-5-3-4-12-14(13)16-21-15-12/h3-5,11,17H,2,6-10H2,1H3.
What are the key properties of N-(1-propylpiperidin-4-yl)-2,1,3-benzothiadiazole-4-sulfonamide?
N-(1-propylpiperidin-4-yl)-2,1,3-benzothiadiazole-4-sulfonamide has a molecular weight of 340.47 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propylpiperidin-4-yl)-2,1,3-benzothiadiazole-4-sulfonamide is sourced from PubChem (CID 22772640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).