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

C10H12N4O2S2 — CID 931485

IUPAC4-piperazin-1-ylsulfonyl-2,1,3-benzothiadiazole
SMILESO=S(=O)(c1cccc2nsnc12)N1CCNCC1
InChIInChI=1S/C10H12N4O2S2/c15-18(16,14-6-4-11-5-7-14)9-3-1-2-8-10(9)13-17-12-8/h1-3,11H,4-7H2
InChIKeyDPNIKKVQBHVYMT-UHFFFAOYSA-N
MW284.37 g/mol
LogP0.29
Rot. Bonds2

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

4-piperazin-1-ylsulfonyl-2,1,3-benzothiadiazole (PubChem CID 931485) has the molecular formula C10H12N4O2S2 and a molecular weight of 284.37 g/mol. Its IUPAC name is 4-piperazin-1-ylsulfonyl-2,1,3-benzothiadiazole.

Molecular Properties

Compound Name4-piperazin-1-ylsulfonyl-2,1,3-benzothiadiazole
PubChem CID931485
Molecular FormulaC10H12N4O2S2
Molecular Weight284.37 g/mol
Exact Mass284.04
IUPAC Name4-piperazin-1-ylsulfonyl-2,1,3-benzothiadiazole
SMILESO=S(=O)(c1cccc2nsnc12)N1CCNCC1
InChIInChI=1S/C10H12N4O2S2/c15-18(16,14-6-4-11-5-7-14)9-3-1-2-8-10(9)13-17-12-8/h1-3,11H,4-7H2
InChIKeyDPNIKKVQBHVYMT-UHFFFAOYSA-N
XLogP0.29
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-piperazin-1-ylsulfonyl-2,1,3-benzothiadiazole?
The IUPAC name of 4-piperazin-1-ylsulfonyl-2,1,3-benzothiadiazole (CID 931485) is 4-piperazin-1-ylsulfonyl-2,1,3-benzothiadiazole.
What is the SMILES notation for 4-piperazin-1-ylsulfonyl-2,1,3-benzothiadiazole?
The canonical SMILES for 4-piperazin-1-ylsulfonyl-2,1,3-benzothiadiazole is O=S(=O)(c1cccc2nsnc12)N1CCNCC1.
What is the InChIKey of 4-piperazin-1-ylsulfonyl-2,1,3-benzothiadiazole?
The InChIKey is DPNIKKVQBHVYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S2/c15-18(16,14-6-4-11-5-7-14)9-3-1-2-8-10(9)13-17-12-8/h1-3,11H,4-7H2.
What are the key properties of 4-piperazin-1-ylsulfonyl-2,1,3-benzothiadiazole?
4-piperazin-1-ylsulfonyl-2,1,3-benzothiadiazole has a molecular weight of 284.37 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperazin-1-ylsulfonyl-2,1,3-benzothiadiazole is sourced from PubChem (CID 931485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).