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

C11H15BrClN3O2S — CID 1034224

IUPAC1-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-4-ethylpiperazine
SMILESCCN1CCN(S(=O)(=O)c2cnc(Cl)c(Br)c2)CC1
InChIInChI=1S/C11H15BrClN3O2S/c1-2-15-3-5-16(6-4-15)19(17,18)9-7-10(12)11(13)14-8-9/h7-8H,2-6H2,1H3
InChIKeyXWPYRBXBZULFKE-UHFFFAOYSA-N
MW368.68 g/mol
LogP1.82
Rot. Bonds3

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

1-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-4-ethylpiperazine (PubChem CID 1034224) has the molecular formula C11H15BrClN3O2S and a molecular weight of 368.68 g/mol. Its IUPAC name is 1-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-4-ethylpiperazine.

Molecular Properties

Compound Name1-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-4-ethylpiperazine
PubChem CID1034224
Molecular FormulaC11H15BrClN3O2S
Molecular Weight368.68 g/mol
Exact Mass366.98
IUPAC Name1-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-4-ethylpiperazine
SMILESCCN1CCN(S(=O)(=O)c2cnc(Cl)c(Br)c2)CC1
InChIInChI=1S/C11H15BrClN3O2S/c1-2-15-3-5-16(6-4-15)19(17,18)9-7-10(12)11(13)14-8-9/h7-8H,2-6H2,1H3
InChIKeyXWPYRBXBZULFKE-UHFFFAOYSA-N
XLogP1.82
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.68
LogP ≤ 51.82
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

6-Chloro-N,N-diethylpyridine-3-sulfonamide
CID 2433226
1-[(5-Bromo-6-chloropyridin-3-yl)sulfonyl]-4-methylpiperazine
CID 3957358
2-Chloro-5-(piperidine-1-sulfonyl)-pyridine
CID 2433201
5,6-dichloro-N,N-diethyl-3-pyridinesulfonamide
CID 826913
3-Bromo-2-chloro-5-[(4-methyl-1-piperidinyl)sulfonyl]pyridine
CID 1034227
3-Bromo-2-chloro-5-[(2-methyl-1-piperidinyl)sulfonyl]pyridine
CID 3818861
2-[(5-Bromo-6-chloro-3-pyridinyl)sulfonyl]-2,5-diazabicyclo[2.2.1]heptane
CID 44427096
1-[(6-Chloro-3-pyridinyl)sulfonyl]-4-ethylpiperazine
CID 822459
5-Bromopyridine-3-sulfonamide
CID 12684258
5-Bromo-2-chloropyridine-3-sulfonyl chloride
CID 45791413
5-Bromo-N-tert-butylpyridine-3-sulfonamide
CID 61794951
5-Bromo-6-chloropyridine-3-sulfonyl chloride
CID 2793626

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-4-ethylpiperazine?
The IUPAC name of 1-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-4-ethylpiperazine (CID 1034224) is 1-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-4-ethylpiperazine.
What is the SMILES notation for 1-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-4-ethylpiperazine?
The canonical SMILES for 1-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-4-ethylpiperazine is CCN1CCN(S(=O)(=O)c2cnc(Cl)c(Br)c2)CC1.
What is the InChIKey of 1-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-4-ethylpiperazine?
The InChIKey is XWPYRBXBZULFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClN3O2S/c1-2-15-3-5-16(6-4-15)19(17,18)9-7-10(12)11(13)14-8-9/h7-8H,2-6H2,1H3.
What are the key properties of 1-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-4-ethylpiperazine?
1-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-4-ethylpiperazine has a molecular weight of 368.68 g/mol, XLogP of 1.82, 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-ethylpiperazine is sourced from PubChem (CID 1034224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).