4-(4-pyridin-4-ylpiperidin-1-yl)sulfonyl-2,1,3-benzothiadiazole

C16H16N4O2S2 — CID 22585591

IUPAC4-(4-pyridin-4-ylpiperidin-1-yl)sulfonyl-2,1,3-benzothiadiazole
SMILESO=S(=O)(c1cccc2nsnc12)N1CCC(c2ccncc2)CC1
InChIInChI=1S/C16H16N4O2S2/c21-24(22,15-3-1-2-14-16(15)19-23-18-14)20-10-6-13(7-11-20)12-4-8-17-9-5-12/h1-5,8-9,13H,6-7,10-11H2
InChIKeyPWZVFPVWEZHUTO-UHFFFAOYSA-N
MW360.46 g/mol
LogP2.65
Rot. Bonds3

About 4-(4-pyridin-4-ylpiperidin-1-yl)sulfonyl-2,1,3-benzothiadiazole

4-(4-pyridin-4-ylpiperidin-1-yl)sulfonyl-2,1,3-benzothiadiazole (PubChem CID 22585591) has the molecular formula C16H16N4O2S2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 4-(4-pyridin-4-ylpiperidin-1-yl)sulfonyl-2,1,3-benzothiadiazole.

Molecular Properties

Compound Name4-(4-pyridin-4-ylpiperidin-1-yl)sulfonyl-2,1,3-benzothiadiazole
PubChem CID22585591
Molecular FormulaC16H16N4O2S2
Molecular Weight360.46 g/mol
Exact Mass360.07
IUPAC Name4-(4-pyridin-4-ylpiperidin-1-yl)sulfonyl-2,1,3-benzothiadiazole
SMILESO=S(=O)(c1cccc2nsnc12)N1CCC(c2ccncc2)CC1
InChIInChI=1S/C16H16N4O2S2/c21-24(22,15-3-1-2-14-16(15)19-23-18-14)20-10-6-13(7-11-20)12-4-8-17-9-5-12/h1-5,8-9,13H,6-7,10-11H2
InChIKeyPWZVFPVWEZHUTO-UHFFFAOYSA-N
XLogP2.65
TPSA76.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(pyridin-3-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 659653
N-(pyridin-2-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 3235697
1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 3243220
N-(4-methylpyridin-2-yl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 6602864
1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 6619603
5-methyl-N-(3-pyridinylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 671551
5-methyl-N-(4-pyridinylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 706682
[1-(2,1,3-Benzothiadiazol-4-ylsulfonyl)azetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 62706662
5-methyl-N-(quinolin-8-yl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 1090730
4-{[(2,1,3-benzothiadiazol-4-ylsulfonyl)amino]methyl}-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide
CID 6619612
1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-pyridin-3-ylpiperidine-3-carboxamide
CID 3239375
4-{[(2,1,3-benzothiadiazol-4-ylsulfonyl)amino]methyl}-N-(pyridin-2-ylmethyl)cyclohexanecarboxamide
CID 16194457

Frequently Asked Questions

What is the IUPAC name of 4-(4-pyridin-4-ylpiperidin-1-yl)sulfonyl-2,1,3-benzothiadiazole?
The IUPAC name of 4-(4-pyridin-4-ylpiperidin-1-yl)sulfonyl-2,1,3-benzothiadiazole (CID 22585591) is 4-(4-pyridin-4-ylpiperidin-1-yl)sulfonyl-2,1,3-benzothiadiazole.
What is the SMILES notation for 4-(4-pyridin-4-ylpiperidin-1-yl)sulfonyl-2,1,3-benzothiadiazole?
The canonical SMILES for 4-(4-pyridin-4-ylpiperidin-1-yl)sulfonyl-2,1,3-benzothiadiazole is O=S(=O)(c1cccc2nsnc12)N1CCC(c2ccncc2)CC1.
What is the InChIKey of 4-(4-pyridin-4-ylpiperidin-1-yl)sulfonyl-2,1,3-benzothiadiazole?
The InChIKey is PWZVFPVWEZHUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S2/c21-24(22,15-3-1-2-14-16(15)19-23-18-14)20-10-6-13(7-11-20)12-4-8-17-9-5-12/h1-5,8-9,13H,6-7,10-11H2.
What are the key properties of 4-(4-pyridin-4-ylpiperidin-1-yl)sulfonyl-2,1,3-benzothiadiazole?
4-(4-pyridin-4-ylpiperidin-1-yl)sulfonyl-2,1,3-benzothiadiazole has a molecular weight of 360.46 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-pyridin-4-ylpiperidin-1-yl)sulfonyl-2,1,3-benzothiadiazole is sourced from PubChem (CID 22585591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).