1-(4-bromo-2-fluorophenyl)sulfonyl-4-methylpyrrolidin-2-one

C11H11BrFNO3S — CID 116528601

IUPAC1-(4-bromo-2-fluorophenyl)sulfonyl-4-methylpyrrolidin-2-one
SMILESCC1CC(=O)N(S(=O)(=O)c2ccc(Br)cc2F)C1
InChIInChI=1S/C11H11BrFNO3S/c1-7-4-11(15)14(6-7)18(16,17)10-3-2-8(12)5-9(10)13/h2-3,5,7H,4,6H2,1H3
InChIKeyZIDGRFXVPSGZOQ-UHFFFAOYSA-N
MW336.18 g/mol
LogP2.15
Rot. Bonds2

About 1-(4-bromo-2-fluorophenyl)sulfonyl-4-methylpyrrolidin-2-one

1-(4-bromo-2-fluorophenyl)sulfonyl-4-methylpyrrolidin-2-one (PubChem CID 116528601) has the molecular formula C11H11BrFNO3S and a molecular weight of 336.18 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)sulfonyl-4-methylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)sulfonyl-4-methylpyrrolidin-2-one
PubChem CID116528601
Molecular FormulaC11H11BrFNO3S
Molecular Weight336.18 g/mol
Exact Mass334.96
IUPAC Name1-(4-bromo-2-fluorophenyl)sulfonyl-4-methylpyrrolidin-2-one
SMILESCC1CC(=O)N(S(=O)(=O)c2ccc(Br)cc2F)C1
InChIInChI=1S/C11H11BrFNO3S/c1-7-4-11(15)14(6-7)18(16,17)10-3-2-8(12)5-9(10)13/h2-3,5,7H,4,6H2,1H3
InChIKeyZIDGRFXVPSGZOQ-UHFFFAOYSA-N
XLogP2.15
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.18
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromo-2-fluorophenyl)sulfonyl-4-methylpyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-bromo-2-fluorophenyl)sulfonyl-1,2,6-trimethylpiperazine
CID 114389646
1-(2,5-dibromo-4-methylphenyl)sulfonyl-4-methylpyrrolidin-2-one
CID 81423253
(3S)-1-(4-bromo-2-fluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 120713063
5-(4-bromo-2-fluorophenyl)sulfonyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 116527932
1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-methylpyrrolidin-2-one
CID 63100893
1-(4-bromo-2-fluorophenyl)sulfonyl-4-methylsulfonylpiperazine
CID 116528265
4-(4-bromo-2-fluorophenyl)sulfonyl-2-(bromomethyl)-6-methylmorpholine
CID 102938147
1-[(4-bromo-2-fluorophenyl)methyl]-4-methylpyrrolidin-2-one
CID 63101118
1-(4-bromo-2-fluorophenyl)sulfonyl-2,5-dimethylpiperazine;hydrochloride
CID 120712878
1-(4-bromo-2-fluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 120708382
1-(4-bromo-2-fluorophenyl)sulfonyl-4-cyclopropylpiperazine
CID 116528277
[1-(4-bromo-2-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 116527858

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)sulfonyl-4-methylpyrrolidin-2-one?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)sulfonyl-4-methylpyrrolidin-2-one (CID 116528601) is 1-(4-bromo-2-fluorophenyl)sulfonyl-4-methylpyrrolidin-2-one.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)sulfonyl-4-methylpyrrolidin-2-one?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)sulfonyl-4-methylpyrrolidin-2-one is CC1CC(=O)N(S(=O)(=O)c2ccc(Br)cc2F)C1.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)sulfonyl-4-methylpyrrolidin-2-one?
The InChIKey is ZIDGRFXVPSGZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFNO3S/c1-7-4-11(15)14(6-7)18(16,17)10-3-2-8(12)5-9(10)13/h2-3,5,7H,4,6H2,1H3.
What are the key properties of 1-(4-bromo-2-fluorophenyl)sulfonyl-4-methylpyrrolidin-2-one?
1-(4-bromo-2-fluorophenyl)sulfonyl-4-methylpyrrolidin-2-one has a molecular weight of 336.18 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)sulfonyl-4-methylpyrrolidin-2-one is sourced from PubChem (CID 116528601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).