4-amino-1-(2-bromo-4-methylsulfonylphenyl)pyrrolidin-2-one

C11H13BrN2O3S — CID 168699646

IUPAC4-amino-1-(2-bromo-4-methylsulfonylphenyl)pyrrolidin-2-one
SMILESCS(=O)(=O)c1ccc(N2CC(N)CC2=O)c(Br)c1
InChIInChI=1S/C11H13BrN2O3S/c1-18(16,17)8-2-3-10(9(12)5-8)14-6-7(13)4-11(14)15/h2-3,5,7H,4,6,13H2,1H3
InChIKeyFREUNFDMVUDSQH-UHFFFAOYSA-N
MW333.21 g/mol
LogP0.92
Rot. Bonds2

About 4-amino-1-(2-bromo-4-methylsulfonylphenyl)pyrrolidin-2-one

4-amino-1-(2-bromo-4-methylsulfonylphenyl)pyrrolidin-2-one (PubChem CID 168699646) has the molecular formula C11H13BrN2O3S and a molecular weight of 333.21 g/mol. Its IUPAC name is 4-amino-1-(2-bromo-4-methylsulfonylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-(2-bromo-4-methylsulfonylphenyl)pyrrolidin-2-one
PubChem CID168699646
Molecular FormulaC11H13BrN2O3S
Molecular Weight333.21 g/mol
Exact Mass331.98
IUPAC Name4-amino-1-(2-bromo-4-methylsulfonylphenyl)pyrrolidin-2-one
SMILESCS(=O)(=O)c1ccc(N2CC(N)CC2=O)c(Br)c1
InChIInChI=1S/C11H13BrN2O3S/c1-18(16,17)8-2-3-10(9(12)5-8)14-6-7(13)4-11(14)15/h2-3,5,7H,4,6,13H2,1H3
InChIKeyFREUNFDMVUDSQH-UHFFFAOYSA-N
XLogP0.92
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.21
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

S-[1-(2-bromo-4-methylsulfonylphenyl)-5-oxopyrrolidin-3-yl] ethanethioate
CID 168705367
3-amino-4-(4-amino-2-oxopyrrolidin-1-yl)benzenesulfonic acid
CID 168700763
4-amino-1-(2-bromo-5-hydroxyphenyl)pyrrolidin-2-one
CID 168700541
4-amino-1-(4-bromonaphthalen-1-yl)pyrrolidin-2-one
CID 113384546
1-(2-bromo-4-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711701
4-(aminomethyl)-1-(2-methyl-5-methylsulfonylphenyl)pyrrolidin-2-one
CID 168659855
4-amino-1-(2-bromo-6-methyl-3-pyridinyl)pyrrolidin-2-one
CID 168699843
4-amino-1-(4-bromo-2,5-dichlorophenyl)pyrrolidin-2-one
CID 168700400
4-amino-1-(4-fluoro-2-methylphenyl)pyrrolidin-2-one
CID 43521142
(4S)-4-amino-1-(4-bromo-3-methylphenyl)pyrrolidin-2-one
CID 93094958
4-(chloromethyl)-1-(2-methyl-5-methylsulfonylphenyl)pyrrolidin-2-one
CID 168507831
[1-(2-bromo-4-iodophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682704

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-bromo-4-methylsulfonylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-amino-1-(2-bromo-4-methylsulfonylphenyl)pyrrolidin-2-one (CID 168699646) is 4-amino-1-(2-bromo-4-methylsulfonylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-(2-bromo-4-methylsulfonylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-(2-bromo-4-methylsulfonylphenyl)pyrrolidin-2-one is CS(=O)(=O)c1ccc(N2CC(N)CC2=O)c(Br)c1.
What is the InChIKey of 4-amino-1-(2-bromo-4-methylsulfonylphenyl)pyrrolidin-2-one?
The InChIKey is FREUNFDMVUDSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O3S/c1-18(16,17)8-2-3-10(9(12)5-8)14-6-7(13)4-11(14)15/h2-3,5,7H,4,6,13H2,1H3.
What are the key properties of 4-amino-1-(2-bromo-4-methylsulfonylphenyl)pyrrolidin-2-one?
4-amino-1-(2-bromo-4-methylsulfonylphenyl)pyrrolidin-2-one has a molecular weight of 333.21 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-bromo-4-methylsulfonylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 168699646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).