4-(2-bromophenyl)sulfonyl-1-(2-methoxy-4-pyridinyl)piperazin-2-one

C16H16BrN3O4S — CID 138988472

IUPAC4-(2-bromophenyl)sulfonyl-1-(2-methoxy-4-pyridinyl)piperazin-2-one
SMILESCOc1cc(N2CCN(S(=O)(=O)c3ccccc3Br)CC2=O)ccn1
InChIInChI=1S/C16H16BrN3O4S/c1-24-15-10-12(6-7-18-15)20-9-8-19(11-16(20)21)25(22,23)14-5-3-2-4-13(14)17/h2-7,10H,8-9,11H2,1H3
InChIKeyNHISIDYLQMGFBJ-UHFFFAOYSA-N
MW426.29 g/mol
LogP1.89
Rot. Bonds4

About 4-(2-bromophenyl)sulfonyl-1-(2-methoxy-4-pyridinyl)piperazin-2-one

4-(2-bromophenyl)sulfonyl-1-(2-methoxy-4-pyridinyl)piperazin-2-one (PubChem CID 138988472) has the molecular formula C16H16BrN3O4S and a molecular weight of 426.29 g/mol. Its IUPAC name is 4-(2-bromophenyl)sulfonyl-1-(2-methoxy-4-pyridinyl)piperazin-2-one.

Molecular Properties

Compound Name4-(2-bromophenyl)sulfonyl-1-(2-methoxy-4-pyridinyl)piperazin-2-one
PubChem CID138988472
Molecular FormulaC16H16BrN3O4S
Molecular Weight426.29 g/mol
Exact Mass425.00
IUPAC Name4-(2-bromophenyl)sulfonyl-1-(2-methoxy-4-pyridinyl)piperazin-2-one
SMILESCOc1cc(N2CCN(S(=O)(=O)c3ccccc3Br)CC2=O)ccn1
InChIInChI=1S/C16H16BrN3O4S/c1-24-15-10-12(6-7-18-15)20-9-8-19(11-16(20)21)25(22,23)14-5-3-2-4-13(14)17/h2-7,10H,8-9,11H2,1H3
InChIKeyNHISIDYLQMGFBJ-UHFFFAOYSA-N
XLogP1.89
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.29
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyclopropylsulfonyl-1-(2-methoxy-4-pyridinyl)piperazin-2-one
CID 139023028
4-(2-bromophenyl)sulfonyl-1-pyridin-3-ylpiperazin-2-one
CID 126855640
1-(2-methoxy-4-pyridinyl)-4-(6-methoxypyrimidin-4-yl)piperazin-2-one
CID 155974547
4-(3-fluoro-2-pyridinyl)-1-(2-methoxy-4-pyridinyl)piperazin-2-one
CID 163343878
1-(2-methoxy-4-pyridinyl)-4-(3-phenylprop-2-enyl)piperazin-2-one
CID 171145881
2-(2-bromophenyl)sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 3750648
4-[3-(2-fluorophenyl)propanoyl]-1-(2-methoxy-4-pyridinyl)piperazin-2-one
CID 139023373
6-[4-(2-methoxy-4-pyridinyl)-3-oxopiperazin-1-yl]pyridine-3-carbonitrile
CID 139022978
1-(2-methoxy-4-pyridinyl)-4-(1,3-thiazol-5-ylmethyl)piperazin-2-one
CID 155974357
4-(2,5-dimethylfuran-3-carbonyl)-1-(2-methoxy-4-pyridinyl)piperazin-2-one
CID 139023042
4-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 122343646
4-(2-cyclopropyl-6-methylpyrimidin-4-yl)-1-(2-methoxy-4-pyridinyl)piperazin-2-one
CID 155974492

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)sulfonyl-1-(2-methoxy-4-pyridinyl)piperazin-2-one?
The IUPAC name of 4-(2-bromophenyl)sulfonyl-1-(2-methoxy-4-pyridinyl)piperazin-2-one (CID 138988472) is 4-(2-bromophenyl)sulfonyl-1-(2-methoxy-4-pyridinyl)piperazin-2-one.
What is the SMILES notation for 4-(2-bromophenyl)sulfonyl-1-(2-methoxy-4-pyridinyl)piperazin-2-one?
The canonical SMILES for 4-(2-bromophenyl)sulfonyl-1-(2-methoxy-4-pyridinyl)piperazin-2-one is COc1cc(N2CCN(S(=O)(=O)c3ccccc3Br)CC2=O)ccn1.
What is the InChIKey of 4-(2-bromophenyl)sulfonyl-1-(2-methoxy-4-pyridinyl)piperazin-2-one?
The InChIKey is NHISIDYLQMGFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O4S/c1-24-15-10-12(6-7-18-15)20-9-8-19(11-16(20)21)25(22,23)14-5-3-2-4-13(14)17/h2-7,10H,8-9,11H2,1H3.
What are the key properties of 4-(2-bromophenyl)sulfonyl-1-(2-methoxy-4-pyridinyl)piperazin-2-one?
4-(2-bromophenyl)sulfonyl-1-(2-methoxy-4-pyridinyl)piperazin-2-one has a molecular weight of 426.29 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)sulfonyl-1-(2-methoxy-4-pyridinyl)piperazin-2-one is sourced from PubChem (CID 138988472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).