4-piperidin-1-ylsulfonyl-2,1,3-benzothiadiazole

C11H13N3O2S2 — CID 558425

IUPAC4-piperidin-1-ylsulfonyl-2,1,3-benzothiadiazole
SMILESO=S(=O)(c1cccc2nsnc12)N1CCCCC1
InChIInChI=1S/C11H13N3O2S2/c15-18(16,14-7-2-1-3-8-14)10-6-4-5-9-11(10)13-17-12-9/h4-6H,1-3,7-8H2
InChIKeyNXOMFMSHYBXJTM-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.87
Rot. Bonds2

About 4-piperidin-1-ylsulfonyl-2,1,3-benzothiadiazole

4-piperidin-1-ylsulfonyl-2,1,3-benzothiadiazole (PubChem CID 558425) has the molecular formula C11H13N3O2S2 and a molecular weight of 283.38 g/mol. Its IUPAC name is 4-piperidin-1-ylsulfonyl-2,1,3-benzothiadiazole.

Molecular Properties

Compound Name4-piperidin-1-ylsulfonyl-2,1,3-benzothiadiazole
PubChem CID558425
Molecular FormulaC11H13N3O2S2
Molecular Weight283.38 g/mol
Exact Mass283.04
IUPAC Name4-piperidin-1-ylsulfonyl-2,1,3-benzothiadiazole
SMILESO=S(=O)(c1cccc2nsnc12)N1CCCCC1
InChIInChI=1S/C11H13N3O2S2/c15-18(16,14-7-2-1-3-8-14)10-6-4-5-9-11(10)13-17-12-9/h4-6H,1-3,7-8H2
InChIKeyNXOMFMSHYBXJTM-UHFFFAOYSA-N
XLogP1.87
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-ylsulfonyl-2,1,3-benzothiadiazole?
The IUPAC name of 4-piperidin-1-ylsulfonyl-2,1,3-benzothiadiazole (CID 558425) is 4-piperidin-1-ylsulfonyl-2,1,3-benzothiadiazole.
What is the SMILES notation for 4-piperidin-1-ylsulfonyl-2,1,3-benzothiadiazole?
The canonical SMILES for 4-piperidin-1-ylsulfonyl-2,1,3-benzothiadiazole is O=S(=O)(c1cccc2nsnc12)N1CCCCC1.
What is the InChIKey of 4-piperidin-1-ylsulfonyl-2,1,3-benzothiadiazole?
The InChIKey is NXOMFMSHYBXJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S2/c15-18(16,14-7-2-1-3-8-14)10-6-4-5-9-11(10)13-17-12-9/h4-6H,1-3,7-8H2.
What are the key properties of 4-piperidin-1-ylsulfonyl-2,1,3-benzothiadiazole?
4-piperidin-1-ylsulfonyl-2,1,3-benzothiadiazole has a molecular weight of 283.38 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-ylsulfonyl-2,1,3-benzothiadiazole is sourced from PubChem (CID 558425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).