1-(4-bromo-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide

C11H13BrN2O3S — CID 168717628

IUPAC1-(4-bromo-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
SMILESCc1cc(Br)ccc1N1CC(S(N)(=O)=O)CC1=O
InChIInChI=1S/C11H13BrN2O3S/c1-7-4-8(12)2-3-10(7)14-6-9(5-11(14)15)18(13,16)17/h2-4,9H,5-6H2,1H3,(H2,13,16,17)
InChIKeyJQNLQBKXOVXHNE-UHFFFAOYSA-N
MW333.21 g/mol
LogP1.15
Rot. Bonds2

About 1-(4-bromo-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide

1-(4-bromo-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168717628) has the molecular formula C11H13BrN2O3S and a molecular weight of 333.21 g/mol. Its IUPAC name is 1-(4-bromo-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-(4-bromo-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
PubChem CID168717628
Molecular FormulaC11H13BrN2O3S
Molecular Weight333.21 g/mol
Exact Mass331.98
IUPAC Name1-(4-bromo-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
SMILESCc1cc(Br)ccc1N1CC(S(N)(=O)=O)CC1=O
InChIInChI=1S/C11H13BrN2O3S/c1-7-4-8(12)2-3-10(7)14-6-9(5-11(14)15)18(13,16)17/h2-4,9H,5-6H2,1H3,(H2,13,16,17)
InChIKeyJQNLQBKXOVXHNE-UHFFFAOYSA-N
XLogP1.15
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.21
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717723
1-(5-bromo-2-iodophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718643
methyl 4-bromo-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoate
CID 168717276
1-(2-chloro-3-hydroxy-4-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717608
1-(4,5-dimethoxy-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717594
1-(2-bromo-5-methyl-3-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717714
1-(4-bromo-2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717626
1-(2-amino-4-bromo-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718565
1-(2-bromo-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718667
1-(2-bromo-4,6-dimethylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717703
1-[5-(hydroxymethyl)-2-methylphenyl]-5-oxopyrrolidine-3-sulfonamide
CID 168717729
1-[2-(hydroxymethyl)-4-methylphenyl]-5-oxopyrrolidine-3-sulfonamide
CID 168717669

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-(4-bromo-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide (CID 168717628) is 1-(4-bromo-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-(4-bromo-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-(4-bromo-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide is Cc1cc(Br)ccc1N1CC(S(N)(=O)=O)CC1=O.
What is the InChIKey of 1-(4-bromo-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is JQNLQBKXOVXHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O3S/c1-7-4-8(12)2-3-10(7)14-6-9(5-11(14)15)18(13,16)17/h2-4,9H,5-6H2,1H3,(H2,13,16,17).
What are the key properties of 1-(4-bromo-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide?
1-(4-bromo-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 333.21 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168717628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).