2-[4-(benzenesulfonyl)piperazin-1-yl]-1,3-benzothiazole

C17H17N3O2S2 — CID 1484938

IUPAC2-[4-(benzenesulfonyl)piperazin-1-yl]-1,3-benzothiazole
SMILESO=S(=O)(c1ccccc1)N1CCN(c2nc3ccccc3s2)CC1
InChIInChI=1S/C17H17N3O2S2/c21-24(22,14-6-2-1-3-7-14)20-12-10-19(11-13-20)17-18-15-8-4-5-9-16(15)23-17/h1-9H,10-13H2
InChIKeyVFJZPUKXXPGRNK-UHFFFAOYSA-N
MW359.48 g/mol
LogP2.81
Rot. Bonds3

About 2-[4-(benzenesulfonyl)piperazin-1-yl]-1,3-benzothiazole

2-[4-(benzenesulfonyl)piperazin-1-yl]-1,3-benzothiazole (PubChem CID 1484938) has the molecular formula C17H17N3O2S2 and a molecular weight of 359.48 g/mol. Its IUPAC name is 2-[4-(benzenesulfonyl)piperazin-1-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[4-(benzenesulfonyl)piperazin-1-yl]-1,3-benzothiazole
PubChem CID1484938
Molecular FormulaC17H17N3O2S2
Molecular Weight359.48 g/mol
Exact Mass359.08
IUPAC Name2-[4-(benzenesulfonyl)piperazin-1-yl]-1,3-benzothiazole
SMILESO=S(=O)(c1ccccc1)N1CCN(c2nc3ccccc3s2)CC1
InChIInChI=1S/C17H17N3O2S2/c21-24(22,14-6-2-1-3-7-14)20-12-10-19(11-13-20)17-18-15-8-4-5-9-16(15)23-17/h1-9H,10-13H2
InChIKeyVFJZPUKXXPGRNK-UHFFFAOYSA-N
XLogP2.81
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-Piperazin-1-yl-1,3-benzothiazole
CID 592122
2-(4-Morpholinyl)benzothiazole
CID 77901
2-(4-Benzylpiperazin-1-yl)-1,3-benzothiazole
CID 1484933
N,N'-bis(1,3-benzothiazol-2-yl)-N,N'-dimethylethane-1,2-diamine
CID 23656211
N,N'-dimethyl-N,N'-bis(6-methylsulfonyl-1,3-benzothiazol-2-yl)ethane-1,2-diamine
CID 44441076
6-Chloro-2-(4-(methylsulfonyl)piperazin-1-yl)benzo[d]thiazole
CID 2746598
4-(1,3-benzothiazol-2-yl)-N-butylpiperazine-1-carbothioamide
CID 3191992
2-Piperidinobenzothiazole
CID 76105
2-(4-Ethylpiperazin-1-yl)-1,3-benzothiazole
CID 1537066
2-{[(4-Fluorophenyl)sulfonyl]amino}-6-(pyrrolidinylsulfonyl)benzothiazole
CID 2138957
6-(Piperidine-1-sulfonyl)-benzothiazol-2-ylamine
CID 4386676
1-(4-(Benzo[d]thiazol-2-yl)piperazin-1-yl)-2,2-dimethylpropan-1-one
CID 7136377

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzenesulfonyl)piperazin-1-yl]-1,3-benzothiazole?
The IUPAC name of 2-[4-(benzenesulfonyl)piperazin-1-yl]-1,3-benzothiazole (CID 1484938) is 2-[4-(benzenesulfonyl)piperazin-1-yl]-1,3-benzothiazole.
What is the SMILES notation for 2-[4-(benzenesulfonyl)piperazin-1-yl]-1,3-benzothiazole?
The canonical SMILES for 2-[4-(benzenesulfonyl)piperazin-1-yl]-1,3-benzothiazole is O=S(=O)(c1ccccc1)N1CCN(c2nc3ccccc3s2)CC1.
What is the InChIKey of 2-[4-(benzenesulfonyl)piperazin-1-yl]-1,3-benzothiazole?
The InChIKey is VFJZPUKXXPGRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S2/c21-24(22,14-6-2-1-3-7-14)20-12-10-19(11-13-20)17-18-15-8-4-5-9-16(15)23-17/h1-9H,10-13H2.
What are the key properties of 2-[4-(benzenesulfonyl)piperazin-1-yl]-1,3-benzothiazole?
2-[4-(benzenesulfonyl)piperazin-1-yl]-1,3-benzothiazole has a molecular weight of 359.48 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzenesulfonyl)piperazin-1-yl]-1,3-benzothiazole is sourced from PubChem (CID 1484938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).