4-(2-bromophenyl)sulfonyl-1-pyridin-3-ylpiperazin-2-one

C15H14BrN3O3S — CID 126855640

IUPAC4-(2-bromophenyl)sulfonyl-1-pyridin-3-ylpiperazin-2-one
SMILESO=C1CN(S(=O)(=O)c2ccccc2Br)CCN1c1cccnc1
InChIInChI=1S/C15H14BrN3O3S/c16-13-5-1-2-6-14(13)23(21,22)18-8-9-19(15(20)11-18)12-4-3-7-17-10-12/h1-7,10H,8-9,11H2
InChIKeyPGEHYFJJFCDKQG-UHFFFAOYSA-N
MW396.27 g/mol
LogP1.88
Rot. Bonds3

About 4-(2-bromophenyl)sulfonyl-1-pyridin-3-ylpiperazin-2-one

4-(2-bromophenyl)sulfonyl-1-pyridin-3-ylpiperazin-2-one (PubChem CID 126855640) has the molecular formula C15H14BrN3O3S and a molecular weight of 396.27 g/mol. Its IUPAC name is 4-(2-bromophenyl)sulfonyl-1-pyridin-3-ylpiperazin-2-one.

Molecular Properties

Compound Name4-(2-bromophenyl)sulfonyl-1-pyridin-3-ylpiperazin-2-one
PubChem CID126855640
Molecular FormulaC15H14BrN3O3S
Molecular Weight396.27 g/mol
Exact Mass394.99
IUPAC Name4-(2-bromophenyl)sulfonyl-1-pyridin-3-ylpiperazin-2-one
SMILESO=C1CN(S(=O)(=O)c2ccccc2Br)CCN1c1cccnc1
InChIInChI=1S/C15H14BrN3O3S/c16-13-5-1-2-6-14(13)23(21,22)18-8-9-19(15(20)11-18)12-4-3-7-17-10-12/h1-7,10H,8-9,11H2
InChIKeyPGEHYFJJFCDKQG-UHFFFAOYSA-N
XLogP1.88
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.27
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-fluoro-2-methylphenyl)sulfonyl-1-pyridin-3-ylpiperazin-2-one
CID 126851704
4-(2-bromophenyl)sulfonyl-1-(2-methoxy-4-pyridinyl)piperazin-2-one
CID 138988472
1-pyridin-2-yl-4-quinolin-8-ylsulfonylpiperazin-2-one
CID 134161610
4-(2-bromophenyl)sulfonylpiperazine-1-carbaldehyde
CID 3858856
4-(pyridine-2-carbonyl)-1-pyridin-3-ylpiperazin-2-one
CID 126855620
4-(4-morpholin-4-ylsulfonylbenzoyl)-1-pyridin-3-ylpiperazin-2-one
CID 126855625
1-pyridin-3-yl-4-(2-pyridin-3-ylacetyl)piperazin-2-one
CID 126851696
4-(2-bromophenyl)sulfonyl-1,4-thiazinane 1-oxide
CID 54975760
1-(2-bromophenyl)sulfonyl-4-methyl-1,4-diazepane
CID 2468104
(3-aminopyrazin-2-yl)-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]methanone
CID 16594148
3-(2-bromophenyl)sulfonyl-3-azabicyclo[3.1.0]hexan-6-amine
CID 90313011
1-(2-bromophenyl)sulfonyl-4,4-dimethylpiperidine
CID 62922388

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)sulfonyl-1-pyridin-3-ylpiperazin-2-one?
The IUPAC name of 4-(2-bromophenyl)sulfonyl-1-pyridin-3-ylpiperazin-2-one (CID 126855640) is 4-(2-bromophenyl)sulfonyl-1-pyridin-3-ylpiperazin-2-one.
What is the SMILES notation for 4-(2-bromophenyl)sulfonyl-1-pyridin-3-ylpiperazin-2-one?
The canonical SMILES for 4-(2-bromophenyl)sulfonyl-1-pyridin-3-ylpiperazin-2-one is O=C1CN(S(=O)(=O)c2ccccc2Br)CCN1c1cccnc1.
What is the InChIKey of 4-(2-bromophenyl)sulfonyl-1-pyridin-3-ylpiperazin-2-one?
The InChIKey is PGEHYFJJFCDKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O3S/c16-13-5-1-2-6-14(13)23(21,22)18-8-9-19(15(20)11-18)12-4-3-7-17-10-12/h1-7,10H,8-9,11H2.
What are the key properties of 4-(2-bromophenyl)sulfonyl-1-pyridin-3-ylpiperazin-2-one?
4-(2-bromophenyl)sulfonyl-1-pyridin-3-ylpiperazin-2-one has a molecular weight of 396.27 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)sulfonyl-1-pyridin-3-ylpiperazin-2-one is sourced from PubChem (CID 126855640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).