1-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-4-phenylpiperazine

C15H15BrClN3O2S — CID 11952187

IUPAC1-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-4-phenylpiperazine
SMILESO=S(=O)(c1cnc(Cl)c(Br)c1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C15H15BrClN3O2S/c16-14-10-13(11-18-15(14)17)23(21,22)20-8-6-19(7-9-20)12-4-2-1-3-5-12/h1-5,10-11H,6-9H2
InChIKeyQNOPSISAZDDIGF-UHFFFAOYSA-N
MW416.73 g/mol
LogP3.01
Rot. Bonds3

About 1-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-4-phenylpiperazine

1-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-4-phenylpiperazine (PubChem CID 11952187) has the molecular formula C15H15BrClN3O2S and a molecular weight of 416.73 g/mol. Its IUPAC name is 1-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-4-phenylpiperazine
PubChem CID11952187
Molecular FormulaC15H15BrClN3O2S
Molecular Weight416.73 g/mol
Exact Mass414.98
IUPAC Name1-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-4-phenylpiperazine
SMILESO=S(=O)(c1cnc(Cl)c(Br)c1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C15H15BrClN3O2S/c16-14-10-13(11-18-15(14)17)23(21,22)20-8-6-19(7-9-20)12-4-2-1-3-5-12/h1-5,10-11H,6-9H2
InChIKeyQNOPSISAZDDIGF-UHFFFAOYSA-N
XLogP3.01
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.73
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-4-phenylpiperazine
CID 110295033
1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-4-(4-fluorophenyl)piperazine
CID 110295034
1-(3-chlorophenyl)sulfonyl-4-phenylpiperazine
CID 2481211
1-phenyl-4-pyridin-3-ylsulfonylpiperazine
CID 23762699
2-chloro-5-(4-phenylpiperazin-1-yl)sulfonylbenzoate
CID 2369448
2-[4-(benzenesulfonyl)piperazin-1-yl]-5-bromopyrimidine
CID 39660614
1-(2,4-dibromo-5-methylphenyl)sulfonyl-4-phenylpiperazine
CID 50876773
(2R)-1-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-2-methyl-2,3-dihydroindole
CID 1034220
1-[(5,6-dichloro-3-pyridinyl)sulfonyl]azepane
CID 4730925
[2-[(5-bromo-6-chloro-3-pyridinyl)sulfonyloxy]phenyl] 5-bromo-6-chloropyridine-3-sulfonate
CID 4730139
1-(4-chlorophenyl)-4-(3,4-dichlorophenyl)sulfonylpiperazine
CID 3708259
1-(benzenesulfonyl)-4-(4-fluorophenyl)piperazine
CID 779709

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-4-phenylpiperazine?
The IUPAC name of 1-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-4-phenylpiperazine (CID 11952187) is 1-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-4-phenylpiperazine?
The canonical SMILES for 1-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-4-phenylpiperazine is O=S(=O)(c1cnc(Cl)c(Br)c1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-4-phenylpiperazine?
The InChIKey is QNOPSISAZDDIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClN3O2S/c16-14-10-13(11-18-15(14)17)23(21,22)20-8-6-19(7-9-20)12-4-2-1-3-5-12/h1-5,10-11H,6-9H2.
What are the key properties of 1-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-4-phenylpiperazine?
1-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-4-phenylpiperazine has a molecular weight of 416.73 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-4-phenylpiperazine is sourced from PubChem (CID 11952187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).