5-[[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-methyl-1,2-oxazole

C15H17BrClN3O3S — CID 30142320

IUPAC5-[[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-methyl-1,2-oxazole
SMILESCc1cc(CN2CCN(S(=O)(=O)c3ccc(Br)cc3Cl)CC2)on1
InChIInChI=1S/C15H17BrClN3O3S/c1-11-8-13(23-18-11)10-19-4-6-20(7-5-19)24(21,22)15-3-2-12(16)9-14(15)17/h2-3,8-9H,4-7,10H2,1H3
InChIKeyPJFRNXGXIPBUGN-UHFFFAOYSA-N
MW434.74 g/mol
LogP2.91
Rot. Bonds4

About 5-[[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-methyl-1,2-oxazole

5-[[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-methyl-1,2-oxazole (PubChem CID 30142320) has the molecular formula C15H17BrClN3O3S and a molecular weight of 434.74 g/mol. Its IUPAC name is 5-[[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-methyl-1,2-oxazole
PubChem CID30142320
Molecular FormulaC15H17BrClN3O3S
Molecular Weight434.74 g/mol
Exact Mass432.99
IUPAC Name5-[[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-methyl-1,2-oxazole
SMILESCc1cc(CN2CCN(S(=O)(=O)c3ccc(Br)cc3Cl)CC2)on1
InChIInChI=1S/C15H17BrClN3O3S/c1-11-8-13(23-18-11)10-19-4-6-20(7-5-19)24(21,22)15-3-2-12(16)9-14(15)17/h2-3,8-9H,4-7,10H2,1H3
InChIKeyPJFRNXGXIPBUGN-UHFFFAOYSA-N
XLogP2.91
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.74
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-methyl-1,2-oxazole
CID 30142329
3-methyl-5-[[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-1,2-oxazole
CID 51245976
1-(4-bromo-2-chlorophenyl)sulfonyl-4-ethylpiperazine
CID 7975709
5-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-3-methyl-1,2-oxazole
CID 30142213
3-methyl-5-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]-1,2-oxazole
CID 30142306
5-[[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]methyl]-3-methyl-1,2-oxazole
CID 30142403
1-(4-bromo-2-chlorophenyl)sulfonyl-4-(2-bromoethyl)piperazine
CID 80675496
5-[[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 2539571
5-[[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]-3-methyl-1,2-oxazole
CID 51245978
1-(4-bromo-2-chlorophenyl)sulfonyl-4-propan-2-ylpiperazine
CID 47117988
5-[[4-(6-bromo-8-chloroquinolin-2-yl)piperazin-1-yl]methyl]-3-methyl-1,2-oxazole
CID 133436401
2-[4-(4-bromo-2-chlorophenyl)sulfonyl-1,4-diazepan-1-yl]ethanol
CID 63309889

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-methyl-1,2-oxazole (CID 30142320) is 5-[[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-methyl-1,2-oxazole is Cc1cc(CN2CCN(S(=O)(=O)c3ccc(Br)cc3Cl)CC2)on1.
What is the InChIKey of 5-[[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-methyl-1,2-oxazole?
The InChIKey is PJFRNXGXIPBUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrClN3O3S/c1-11-8-13(23-18-11)10-19-4-6-20(7-5-19)24(21,22)15-3-2-12(16)9-14(15)17/h2-3,8-9H,4-7,10H2,1H3.
What are the key properties of 5-[[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-methyl-1,2-oxazole?
5-[[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-methyl-1,2-oxazole has a molecular weight of 434.74 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 30142320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).