4-(2,4-dibromophenyl)sulfonyl-1-methylpiperazin-2-one

C11H12Br2N2O3S — CID 64695379

IUPAC4-(2,4-dibromophenyl)sulfonyl-1-methylpiperazin-2-one
SMILESCN1CCN(S(=O)(=O)c2ccc(Br)cc2Br)CC1=O
InChIInChI=1S/C11H12Br2N2O3S/c1-14-4-5-15(7-11(14)16)19(17,18)10-3-2-8(12)6-9(10)13/h2-3,6H,4-5,7H2,1H3
InChIKeyHIUQJTHFYXBXPY-UHFFFAOYSA-N
MW412.10 g/mol
LogP1.67
Rot. Bonds2

About 4-(2,4-dibromophenyl)sulfonyl-1-methylpiperazin-2-one

4-(2,4-dibromophenyl)sulfonyl-1-methylpiperazin-2-one (PubChem CID 64695379) has the molecular formula C11H12Br2N2O3S and a molecular weight of 412.10 g/mol. Its IUPAC name is 4-(2,4-dibromophenyl)sulfonyl-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(2,4-dibromophenyl)sulfonyl-1-methylpiperazin-2-one
PubChem CID64695379
Molecular FormulaC11H12Br2N2O3S
Molecular Weight412.10 g/mol
Exact Mass409.89
IUPAC Name4-(2,4-dibromophenyl)sulfonyl-1-methylpiperazin-2-one
SMILESCN1CCN(S(=O)(=O)c2ccc(Br)cc2Br)CC1=O
InChIInChI=1S/C11H12Br2N2O3S/c1-14-4-5-15(7-11(14)16)19(17,18)10-3-2-8(12)6-9(10)13/h2-3,6H,4-5,7H2,1H3
InChIKeyHIUQJTHFYXBXPY-UHFFFAOYSA-N
XLogP1.67
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.10
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-bromo-4-methylphenyl)sulfonyl-1-methyl-1,4-diazepan-2-one
CID 102847434
1,4-bis[(2,4-dibromophenyl)sulfonyl]-1,4-diazepane
CID 21210164
1-(2,4-dibromophenyl)sulfonyl-3-methylpyrrolidin-3-ol
CID 103871444
1-(2,4-dibromophenyl)sulfonyl-3-methylpiperidin-4-amine
CID 79868686
4-(2,4-dibromophenyl)sulfonyl-2,6-dimethylmorpholine
CID 47257434
4-(2,4-dibromophenyl)sulfonyl-1-ethyl-2-methylpiperazine
CID 63605466
1-(2,4-dibromophenyl)sulfonyl-N-methylpyrrolidin-3-amine
CID 115300248
1-(2,4-dibromophenyl)sulfonyl-4,4-dimethylazepane
CID 65282364
4-(4-chlorophenyl)sulfonyl-1-methylpiperazin-2-one
CID 110708129
1-methyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazin-2-one
CID 110708137
3-methyl-4-(4-methyl-3-oxopiperazin-1-yl)sulfonylbenzenecarbothioamide
CID 106998329
8-(2,4-dibromophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61233880

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dibromophenyl)sulfonyl-1-methylpiperazin-2-one?
The IUPAC name of 4-(2,4-dibromophenyl)sulfonyl-1-methylpiperazin-2-one (CID 64695379) is 4-(2,4-dibromophenyl)sulfonyl-1-methylpiperazin-2-one.
What is the SMILES notation for 4-(2,4-dibromophenyl)sulfonyl-1-methylpiperazin-2-one?
The canonical SMILES for 4-(2,4-dibromophenyl)sulfonyl-1-methylpiperazin-2-one is CN1CCN(S(=O)(=O)c2ccc(Br)cc2Br)CC1=O.
What is the InChIKey of 4-(2,4-dibromophenyl)sulfonyl-1-methylpiperazin-2-one?
The InChIKey is HIUQJTHFYXBXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2N2O3S/c1-14-4-5-15(7-11(14)16)19(17,18)10-3-2-8(12)6-9(10)13/h2-3,6H,4-5,7H2,1H3.
What are the key properties of 4-(2,4-dibromophenyl)sulfonyl-1-methylpiperazin-2-one?
4-(2,4-dibromophenyl)sulfonyl-1-methylpiperazin-2-one has a molecular weight of 412.10 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dibromophenyl)sulfonyl-1-methylpiperazin-2-one is sourced from PubChem (CID 64695379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).