4-bromo-N-(2-oxo-2-piperazin-1-ylethyl)-N-propan-2-ylbenzenesulfonamide

C15H22BrN3O3S — CID 50788681

IUPAC4-bromo-N-(2-oxo-2-piperazin-1-ylethyl)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)N(CC(=O)N1CCNCC1)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H22BrN3O3S/c1-12(2)19(11-15(20)18-9-7-17-8-10-18)23(21,22)14-5-3-13(16)4-6-14/h3-6,12,17H,7-11H2,1-2H3
InChIKeySFRZQROUGANNBR-UHFFFAOYSA-N
MW404.33 g/mol
LogP1.28
Rot. Bonds5

About 4-bromo-N-(2-oxo-2-piperazin-1-ylethyl)-N-propan-2-ylbenzenesulfonamide

4-bromo-N-(2-oxo-2-piperazin-1-ylethyl)-N-propan-2-ylbenzenesulfonamide (PubChem CID 50788681) has the molecular formula C15H22BrN3O3S and a molecular weight of 404.33 g/mol. Its IUPAC name is 4-bromo-N-(2-oxo-2-piperazin-1-ylethyl)-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(2-oxo-2-piperazin-1-ylethyl)-N-propan-2-ylbenzenesulfonamide
PubChem CID50788681
Molecular FormulaC15H22BrN3O3S
Molecular Weight404.33 g/mol
Exact Mass403.06
IUPAC Name4-bromo-N-(2-oxo-2-piperazin-1-ylethyl)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)N(CC(=O)N1CCNCC1)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H22BrN3O3S/c1-12(2)19(11-15(20)18-9-7-17-8-10-18)23(21,22)14-5-3-13(16)4-6-14/h3-6,12,17H,7-11H2,1-2H3
InChIKeySFRZQROUGANNBR-UHFFFAOYSA-N
XLogP1.28
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.33
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-(2-methylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide
CID 46319298
N-benzyl-4-bromo-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 20934309
N-[(4-bromophenyl)methyl]-4-methoxy-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 50788500
4-iodo-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 61018949
4-bromo-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzenesulfonamide
CID 79701262
N-[(4-bromophenyl)methyl]-4-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 146058874
4-(4-bromophenyl)sulfonyl-1-piperazin-1-ylbutan-1-one;hydrochloride
CID 119402390
2-[methyl(propan-2-yl)amino]-1-piperazin-1-ylethanone
CID 24701593
N-[(4-bromophenyl)methyl]-4-methoxy-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 146058873
N-cycloheptyl-N-(2-oxo-2-piperazin-1-ylethyl)-4-propan-2-ylbenzenesulfonamide
CID 50788565
4-bromo-N,3-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide;hydrochloride
CID 119967420
5-bromo-N,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide;hydrochloride
CID 119967382

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-oxo-2-piperazin-1-ylethyl)-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-bromo-N-(2-oxo-2-piperazin-1-ylethyl)-N-propan-2-ylbenzenesulfonamide (CID 50788681) is 4-bromo-N-(2-oxo-2-piperazin-1-ylethyl)-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(2-oxo-2-piperazin-1-ylethyl)-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-bromo-N-(2-oxo-2-piperazin-1-ylethyl)-N-propan-2-ylbenzenesulfonamide is CC(C)N(CC(=O)N1CCNCC1)S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(2-oxo-2-piperazin-1-ylethyl)-N-propan-2-ylbenzenesulfonamide?
The InChIKey is SFRZQROUGANNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O3S/c1-12(2)19(11-15(20)18-9-7-17-8-10-18)23(21,22)14-5-3-13(16)4-6-14/h3-6,12,17H,7-11H2,1-2H3.
What are the key properties of 4-bromo-N-(2-oxo-2-piperazin-1-ylethyl)-N-propan-2-ylbenzenesulfonamide?
4-bromo-N-(2-oxo-2-piperazin-1-ylethyl)-N-propan-2-ylbenzenesulfonamide has a molecular weight of 404.33 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-oxo-2-piperazin-1-ylethyl)-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 50788681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).