1-[(5-bromo-3-pyridinyl)sulfonyl]-2-pyridin-3-ylpiperazine

C14H15BrN4O2S — CID 120763882

IUPAC1-[(5-bromo-3-pyridinyl)sulfonyl]-2-pyridin-3-ylpiperazine
SMILESO=S(=O)(c1cncc(Br)c1)N1CCNCC1c1cccnc1
InChIInChI=1S/C14H15BrN4O2S/c15-12-6-13(9-18-8-12)22(20,21)19-5-4-17-10-14(19)11-2-1-3-16-7-11/h1-3,6-9,14,17H,4-5,10H2
InChIKeyRHIJUOIAHUEDAR-UHFFFAOYSA-N
MW383.27 g/mol
LogP1.57
Rot. Bonds3

About 1-[(5-bromo-3-pyridinyl)sulfonyl]-2-pyridin-3-ylpiperazine

1-[(5-bromo-3-pyridinyl)sulfonyl]-2-pyridin-3-ylpiperazine (PubChem CID 120763882) has the molecular formula C14H15BrN4O2S and a molecular weight of 383.27 g/mol. Its IUPAC name is 1-[(5-bromo-3-pyridinyl)sulfonyl]-2-pyridin-3-ylpiperazine.

Molecular Properties

Compound Name1-[(5-bromo-3-pyridinyl)sulfonyl]-2-pyridin-3-ylpiperazine
PubChem CID120763882
Molecular FormulaC14H15BrN4O2S
Molecular Weight383.27 g/mol
Exact Mass382.01
IUPAC Name1-[(5-bromo-3-pyridinyl)sulfonyl]-2-pyridin-3-ylpiperazine
SMILESO=S(=O)(c1cncc(Br)c1)N1CCNCC1c1cccnc1
InChIInChI=1S/C14H15BrN4O2S/c15-12-6-13(9-18-8-12)22(20,21)19-5-4-17-10-14(19)11-2-1-3-16-7-11/h1-3,6-9,14,17H,4-5,10H2
InChIKeyRHIJUOIAHUEDAR-UHFFFAOYSA-N
XLogP1.57
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.27
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-bromophenyl)sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride
CID 120764391
1-(3-fluorophenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763589
1-(3-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763950
2-pyridin-3-yl-1-(3,4,5-trifluorophenyl)sulfonylpiperazine;hydrochloride
CID 120763965
1-(3-chlorophenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763595
1-(5-bromo-2-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride
CID 120763612
1-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120764282
2-pyridin-3-yl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine;hydrochloride
CID 120763604
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-pyridin-3-ylpiperazine;hydrochloride
CID 120764101
1-[4-(methylsulfonylmethyl)phenyl]sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride
CID 120763550
1-[(4-bromophenyl)methylsulfonyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120763556
1-[4-(2-pyridin-3-ylpiperazin-1-yl)sulfonylphenyl]ethanone;hydrochloride
CID 120763835

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-3-pyridinyl)sulfonyl]-2-pyridin-3-ylpiperazine?
The IUPAC name of 1-[(5-bromo-3-pyridinyl)sulfonyl]-2-pyridin-3-ylpiperazine (CID 120763882) is 1-[(5-bromo-3-pyridinyl)sulfonyl]-2-pyridin-3-ylpiperazine.
What is the SMILES notation for 1-[(5-bromo-3-pyridinyl)sulfonyl]-2-pyridin-3-ylpiperazine?
The canonical SMILES for 1-[(5-bromo-3-pyridinyl)sulfonyl]-2-pyridin-3-ylpiperazine is O=S(=O)(c1cncc(Br)c1)N1CCNCC1c1cccnc1.
What is the InChIKey of 1-[(5-bromo-3-pyridinyl)sulfonyl]-2-pyridin-3-ylpiperazine?
The InChIKey is RHIJUOIAHUEDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4O2S/c15-12-6-13(9-18-8-12)22(20,21)19-5-4-17-10-14(19)11-2-1-3-16-7-11/h1-3,6-9,14,17H,4-5,10H2.
What are the key properties of 1-[(5-bromo-3-pyridinyl)sulfonyl]-2-pyridin-3-ylpiperazine?
1-[(5-bromo-3-pyridinyl)sulfonyl]-2-pyridin-3-ylpiperazine has a molecular weight of 383.27 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-3-pyridinyl)sulfonyl]-2-pyridin-3-ylpiperazine is sourced from PubChem (CID 120763882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).