4-bromo-7-piperidin-1-ylsulfonyl-2,1,3-benzothiadiazole

C11H12BrN3O2S2 — CID 14291708

IUPAC4-bromo-7-piperidin-1-ylsulfonyl-2,1,3-benzothiadiazole
SMILESO=S(=O)(c1ccc(Br)c2nsnc12)N1CCCCC1
InChIInChI=1S/C11H12BrN3O2S2/c12-8-4-5-9(11-10(8)13-18-14-11)19(16,17)15-6-2-1-3-7-15/h4-5H,1-3,6-7H2
InChIKeyJPIDQOREYIDZFV-UHFFFAOYSA-N
MW362.27 g/mol
LogP2.63
Rot. Bonds2

About 4-bromo-7-piperidin-1-ylsulfonyl-2,1,3-benzothiadiazole

4-bromo-7-piperidin-1-ylsulfonyl-2,1,3-benzothiadiazole (PubChem CID 14291708) has the molecular formula C11H12BrN3O2S2 and a molecular weight of 362.27 g/mol. Its IUPAC name is 4-bromo-7-piperidin-1-ylsulfonyl-2,1,3-benzothiadiazole.

Molecular Properties

Compound Name4-bromo-7-piperidin-1-ylsulfonyl-2,1,3-benzothiadiazole
PubChem CID14291708
Molecular FormulaC11H12BrN3O2S2
Molecular Weight362.27 g/mol
Exact Mass360.96
IUPAC Name4-bromo-7-piperidin-1-ylsulfonyl-2,1,3-benzothiadiazole
SMILESO=S(=O)(c1ccc(Br)c2nsnc12)N1CCCCC1
InChIInChI=1S/C11H12BrN3O2S2/c12-8-4-5-9(11-10(8)13-18-14-11)19(16,17)15-6-2-1-3-7-15/h4-5H,1-3,6-7H2
InChIKeyJPIDQOREYIDZFV-UHFFFAOYSA-N
XLogP2.63
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-7-piperidin-1-ylsulfonyl-2,1,3-benzothiadiazole?
The IUPAC name of 4-bromo-7-piperidin-1-ylsulfonyl-2,1,3-benzothiadiazole (CID 14291708) is 4-bromo-7-piperidin-1-ylsulfonyl-2,1,3-benzothiadiazole.
What is the SMILES notation for 4-bromo-7-piperidin-1-ylsulfonyl-2,1,3-benzothiadiazole?
The canonical SMILES for 4-bromo-7-piperidin-1-ylsulfonyl-2,1,3-benzothiadiazole is O=S(=O)(c1ccc(Br)c2nsnc12)N1CCCCC1.
What is the InChIKey of 4-bromo-7-piperidin-1-ylsulfonyl-2,1,3-benzothiadiazole?
The InChIKey is JPIDQOREYIDZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O2S2/c12-8-4-5-9(11-10(8)13-18-14-11)19(16,17)15-6-2-1-3-7-15/h4-5H,1-3,6-7H2.
What are the key properties of 4-bromo-7-piperidin-1-ylsulfonyl-2,1,3-benzothiadiazole?
4-bromo-7-piperidin-1-ylsulfonyl-2,1,3-benzothiadiazole has a molecular weight of 362.27 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-7-piperidin-1-ylsulfonyl-2,1,3-benzothiadiazole is sourced from PubChem (CID 14291708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).