4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-3-methylpiperazin-2-one

C10H11BrClN3O3S — CID 63362436

IUPAC4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-3-methylpiperazin-2-one
SMILESCC1C(=O)NCCN1S(=O)(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C10H11BrClN3O3S/c1-6-10(16)13-2-3-15(6)19(17,18)8-4-7(11)5-14-9(8)12/h4-6H,2-3H2,1H3,(H,13,16)
InChIKeyRPVJIGUDKMXFON-UHFFFAOYSA-N
MW368.64 g/mol
LogP1.01
Rot. Bonds2

About 4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-3-methylpiperazin-2-one

4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-3-methylpiperazin-2-one (PubChem CID 63362436) has the molecular formula C10H11BrClN3O3S and a molecular weight of 368.64 g/mol. Its IUPAC name is 4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-3-methylpiperazin-2-one
PubChem CID63362436
Molecular FormulaC10H11BrClN3O3S
Molecular Weight368.64 g/mol
Exact Mass366.94
IUPAC Name4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-3-methylpiperazin-2-one
SMILESCC1C(=O)NCCN1S(=O)(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C10H11BrClN3O3S/c1-6-10(16)13-2-3-15(6)19(17,18)8-4-7(11)5-14-9(8)12/h4-6H,2-3H2,1H3,(H,13,16)
InChIKeyRPVJIGUDKMXFON-UHFFFAOYSA-N
XLogP1.01
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.64
LogP ≤ 51.01
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

4-(4-bromo-2-chlorophenyl)sulfonyl-3-methylpiperazin-2-one
CID 63361954
4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-2-methylthiomorpholine
CID 115611975
5-bromo-2-chloro-3-(2,4-dimethylpiperidin-1-yl)sulfonylpyridine
CID 62332316
4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-2,3-dimethylthiomorpholine
CID 113238159
(2S,6R)-4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-2,6-dimethylmorpholine
CID 103931384
4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]piperazine-2,6-dione
CID 66083027
5-bromo-2-chloro-3-(3-methoxy-4-methylpiperidin-1-yl)sulfonylpyridine
CID 102675668
5-bromo-2-chloro-3-(4-methoxypiperidin-1-yl)sulfonylpyridine
CID 55870113
4-(4-chloro-2-methoxyphenyl)sulfonyl-3-methylpiperazin-2-one
CID 63605732
4-bromo-3-(2-methyl-3-oxopiperazin-1-yl)sulfonylbenzoic acid
CID 63606842
4-(5-chloro-2-methoxyphenyl)sulfonyl-3-methylpiperazin-2-one
CID 110708003
3-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-8-oxa-3-azabicyclo[3.2.1]octane
CID 66369806

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-3-methylpiperazin-2-one?
The IUPAC name of 4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-3-methylpiperazin-2-one (CID 63362436) is 4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-3-methylpiperazin-2-one.
What is the SMILES notation for 4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-3-methylpiperazin-2-one?
The canonical SMILES for 4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-3-methylpiperazin-2-one is CC1C(=O)NCCN1S(=O)(=O)c1cc(Br)cnc1Cl.
What is the InChIKey of 4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-3-methylpiperazin-2-one?
The InChIKey is RPVJIGUDKMXFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClN3O3S/c1-6-10(16)13-2-3-15(6)19(17,18)8-4-7(11)5-14-9(8)12/h4-6H,2-3H2,1H3,(H,13,16).
What are the key properties of 4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-3-methylpiperazin-2-one?
4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-3-methylpiperazin-2-one has a molecular weight of 368.64 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-3-methylpiperazin-2-one is sourced from PubChem (CID 63362436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).