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

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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).