1-[(6-bromo-3-pyridinyl)sulfonyl]piperazine

C9H12BrN3O2S — CID 82048413

IUPAC1-[(6-bromo-3-pyridinyl)sulfonyl]piperazine
SMILESO=S(=O)(c1ccc(Br)nc1)N1CCNCC1
InChIInChI=1S/C9H12BrN3O2S/c10-9-2-1-8(7-12-9)16(14,15)13-5-3-11-4-6-13/h1-2,7,11H,3-6H2
InChIKeyWAPIPXODZKKSKG-UHFFFAOYSA-N
MW306.19 g/mol
LogP0.44
Rot. Bonds2

About 1-[(6-bromo-3-pyridinyl)sulfonyl]piperazine

1-[(6-bromo-3-pyridinyl)sulfonyl]piperazine (PubChem CID 82048413) has the molecular formula C9H12BrN3O2S and a molecular weight of 306.19 g/mol. Its IUPAC name is 1-[(6-bromo-3-pyridinyl)sulfonyl]piperazine.

Molecular Properties

Compound Name1-[(6-bromo-3-pyridinyl)sulfonyl]piperazine
PubChem CID82048413
Molecular FormulaC9H12BrN3O2S
Molecular Weight306.19 g/mol
Exact Mass304.98
IUPAC Name1-[(6-bromo-3-pyridinyl)sulfonyl]piperazine
SMILESO=S(=O)(c1ccc(Br)nc1)N1CCNCC1
InChIInChI=1S/C9H12BrN3O2S/c10-9-2-1-8(7-12-9)16(14,15)13-5-3-11-4-6-13/h1-2,7,11H,3-6H2
InChIKeyWAPIPXODZKKSKG-UHFFFAOYSA-N
XLogP0.44
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.19
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-5-piperazin-1-ylsulfonylpyrimidine
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CID 172867320
1-(3-bromo-4-ethoxyphenyl)sulfonylpiperazine
CID 119961758
4-bromo-N-(4-piperazin-1-ylsulfonylphenyl)pyridin-2-amine
CID 166063490
1-(3-bromo-4-nitrophenyl)sulfonylpiperazine
CID 119961499
N-cyclopropyl-4-piperazin-1-ylsulfonylbenzenesulfonamide
CID 119961776
4-piperazin-1-ylsulfonylbenzamide
CID 7131265
1-(4-piperazin-1-ylsulfonylphenyl)ethanone
CID 2125328
1-(4-bromo-3-fluorophenyl)sulfonyl-1,4-diazepane;hydrochloride
CID 119963513
1-[4-(2-methylpropoxy)phenyl]sulfonylpiperazine
CID 43362237
1-[4-(4-ethoxyphenoxy)phenyl]sulfonylpiperazine
CID 4738891
1-(4-phenylphenyl)sulfonyl-1,4-diazepane
CID 119963549

Frequently Asked Questions

What is the IUPAC name of 1-[(6-bromo-3-pyridinyl)sulfonyl]piperazine?
The IUPAC name of 1-[(6-bromo-3-pyridinyl)sulfonyl]piperazine (CID 82048413) is 1-[(6-bromo-3-pyridinyl)sulfonyl]piperazine.
What is the SMILES notation for 1-[(6-bromo-3-pyridinyl)sulfonyl]piperazine?
The canonical SMILES for 1-[(6-bromo-3-pyridinyl)sulfonyl]piperazine is O=S(=O)(c1ccc(Br)nc1)N1CCNCC1.
What is the InChIKey of 1-[(6-bromo-3-pyridinyl)sulfonyl]piperazine?
The InChIKey is WAPIPXODZKKSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3O2S/c10-9-2-1-8(7-12-9)16(14,15)13-5-3-11-4-6-13/h1-2,7,11H,3-6H2.
What are the key properties of 1-[(6-bromo-3-pyridinyl)sulfonyl]piperazine?
1-[(6-bromo-3-pyridinyl)sulfonyl]piperazine has a molecular weight of 306.19 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-bromo-3-pyridinyl)sulfonyl]piperazine is sourced from PubChem (CID 82048413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).