2-piperazin-1-ylsulfonyl-1,3-benzothiazole;hydrochloride

C11H14ClN3O2S2 — CID 71645864

IUPAC2-piperazin-1-ylsulfonyl-1,3-benzothiazole;hydrochloride
SMILESCl.O=S(=O)(c1nc2ccccc2s1)N1CCNCC1
InChIInChI=1S/C11H13N3O2S2.ClH/c15-18(16,14-7-5-12-6-8-14)11-13-9-3-1-2-4-10(9)17-11;/h1-4,12H,5-8H2;1H
InChIKeyOAUFMVDCYAUXCX-UHFFFAOYSA-N
MW319.84 g/mol
LogP1.31
Rot. Bonds2

About 2-piperazin-1-ylsulfonyl-1,3-benzothiazole;hydrochloride

2-piperazin-1-ylsulfonyl-1,3-benzothiazole;hydrochloride (PubChem CID 71645864) has the molecular formula C11H14ClN3O2S2 and a molecular weight of 319.84 g/mol. Its IUPAC name is 2-piperazin-1-ylsulfonyl-1,3-benzothiazole;hydrochloride.

Molecular Properties

Compound Name2-piperazin-1-ylsulfonyl-1,3-benzothiazole;hydrochloride
PubChem CID71645864
Molecular FormulaC11H14ClN3O2S2
Molecular Weight319.84 g/mol
Exact Mass319.02
IUPAC Name2-piperazin-1-ylsulfonyl-1,3-benzothiazole;hydrochloride
SMILESCl.O=S(=O)(c1nc2ccccc2s1)N1CCNCC1
InChIInChI=1S/C11H13N3O2S2.ClH/c15-18(16,14-7-5-12-6-8-14)11-13-9-3-1-2-4-10(9)17-11;/h1-4,12H,5-8H2;1H
InChIKeyOAUFMVDCYAUXCX-UHFFFAOYSA-N
XLogP1.31
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.84
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-piperazin-1-yl-1,3-benzothiazole;hydrochloride
CID 45286058
2-piperidin-3-ylsulfonyl-1,3-benzothiazole
CID 71645533
N-piperidin-4-yl-1,3-benzothiazole-2-sulfonamide
CID 71645908
2-methyl-5-piperazin-1-ylsulfonyl-1,3-benzothiazole
CID 46180600
2-cyclopentylsulfonyl-1,3-benzothiazole
CID 101459308
2-(1,3-benzothiazol-2-ylsulfanyl)-1-(1,4-diazepan-1-yl)ethanone;hydrochloride
CID 119416572
2-(4,5-dihydro-1H-imidazol-2-ylmethylsulfonyl)-1,3-benzothiazole
CID 139221972
potassium;1,3-benzothiazole-2-sulfonate;hydrate
CID 44726049
N-(1,3-benzothiazol-2-yl)-2-oxo-2-piperazin-1-ylacetamide
CID 43327538
1,3-benzothiazole-2-sulfonohydrazide
CID 163739886
2-(3-piperidin-1-ylsulfonylphenyl)-1,3-benzothiazole
CID 2130217
4-(1,3-benzothiazol-2-ylsulfonyl)piperidine-1-carboxylic acid
CID 69184230

Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-ylsulfonyl-1,3-benzothiazole;hydrochloride?
The IUPAC name of 2-piperazin-1-ylsulfonyl-1,3-benzothiazole;hydrochloride (CID 71645864) is 2-piperazin-1-ylsulfonyl-1,3-benzothiazole;hydrochloride.
What is the SMILES notation for 2-piperazin-1-ylsulfonyl-1,3-benzothiazole;hydrochloride?
The canonical SMILES for 2-piperazin-1-ylsulfonyl-1,3-benzothiazole;hydrochloride is Cl.O=S(=O)(c1nc2ccccc2s1)N1CCNCC1.
What is the InChIKey of 2-piperazin-1-ylsulfonyl-1,3-benzothiazole;hydrochloride?
The InChIKey is OAUFMVDCYAUXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S2.ClH/c15-18(16,14-7-5-12-6-8-14)11-13-9-3-1-2-4-10(9)17-11;/h1-4,12H,5-8H2;1H.
What are the key properties of 2-piperazin-1-ylsulfonyl-1,3-benzothiazole;hydrochloride?
2-piperazin-1-ylsulfonyl-1,3-benzothiazole;hydrochloride has a molecular weight of 319.84 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-ylsulfonyl-1,3-benzothiazole;hydrochloride is sourced from PubChem (CID 71645864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).