4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]sulfonyl-2,1,3-benzoxadiazole

C16H15ClN4O5S2 — CID 22772831

IUPAC4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]sulfonyl-2,1,3-benzoxadiazole
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2cccc3nonc23)CC1
InChIInChI=1S/C16H15ClN4O5S2/c17-12-4-6-13(7-5-12)27(22,23)20-8-10-21(11-9-20)28(24,25)15-3-1-2-14-16(15)19-26-18-14/h1-7H,8-11H2
InChIKeyJYEZFDGWZBYRKS-UHFFFAOYSA-N
MW442.91 g/mol
LogP1.57
Rot. Bonds4

About 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]sulfonyl-2,1,3-benzoxadiazole

4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]sulfonyl-2,1,3-benzoxadiazole (PubChem CID 22772831) has the molecular formula C16H15ClN4O5S2 and a molecular weight of 442.91 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]sulfonyl-2,1,3-benzoxadiazole.

Molecular Properties

Compound Name4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]sulfonyl-2,1,3-benzoxadiazole
PubChem CID22772831
Molecular FormulaC16H15ClN4O5S2
Molecular Weight442.91 g/mol
Exact Mass442.02
IUPAC Name4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]sulfonyl-2,1,3-benzoxadiazole
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2cccc3nonc23)CC1
InChIInChI=1S/C16H15ClN4O5S2/c17-12-4-6-13(7-5-12)27(22,23)20-8-10-21(11-9-20)28(24,25)15-3-1-2-14-16(15)19-26-18-14/h1-7H,8-11H2
InChIKeyJYEZFDGWZBYRKS-UHFFFAOYSA-N
XLogP1.57
TPSA113.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.91
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]sulfonyl-2,1,3-benzoxadiazole
CID 19684653
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-2,1,3-benzoxadiazole
CID 5062819
1-[4-(2,1,3-benzoxadiazol-4-ylsulfonyl)piperazin-1-yl]-2-methylpropan-1-one
CID 42581296
4-[4-(2-methylphenyl)piperazin-1-yl]sulfonyl-2,1,3-benzoxadiazole
CID 6733568
1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N,N-diethylpiperidin-4-amine
CID 75382838
4-(4-cyclohexylpiperazin-4-ium-1-yl)sulfonyl-2,1,3-benzoxadiazole
CID 6963599
4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]sulfonyl-2,1,3-benzoxadiazole
CID 17378915
1-(4-chlorophenyl)sulfonyl-4-(2,6-dichlorophenyl)sulfonylpiperazine
CID 35934098
1-(4-chlorophenyl)sulfonyl-4-(2-nitrophenyl)sulfonylpiperazine
CID 1342939
4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-2,1,3-benzoxadiazole
CID 4140904
5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]sulfonylisoquinoline
CID 23904900
1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(3,4-difluorophenyl)piperidine-4-carboxamide
CID 22429381

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]sulfonyl-2,1,3-benzoxadiazole?
The IUPAC name of 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]sulfonyl-2,1,3-benzoxadiazole (CID 22772831) is 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]sulfonyl-2,1,3-benzoxadiazole.
What is the SMILES notation for 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]sulfonyl-2,1,3-benzoxadiazole?
The canonical SMILES for 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]sulfonyl-2,1,3-benzoxadiazole is O=S(=O)(c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2cccc3nonc23)CC1.
What is the InChIKey of 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]sulfonyl-2,1,3-benzoxadiazole?
The InChIKey is JYEZFDGWZBYRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O5S2/c17-12-4-6-13(7-5-12)27(22,23)20-8-10-21(11-9-20)28(24,25)15-3-1-2-14-16(15)19-26-18-14/h1-7H,8-11H2.
What are the key properties of 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]sulfonyl-2,1,3-benzoxadiazole?
4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]sulfonyl-2,1,3-benzoxadiazole has a molecular weight of 442.91 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]sulfonyl-2,1,3-benzoxadiazole is sourced from PubChem (CID 22772831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).