1-(2-bromo-4,6-dimethylphenyl)-5-oxopyrrolidine-3-sulfonamide

C12H15BrN2O3S — CID 168717703

IUPAC1-(2-bromo-4,6-dimethylphenyl)-5-oxopyrrolidine-3-sulfonamide
SMILESCc1cc(C)c(N2CC(S(N)(=O)=O)CC2=O)c(Br)c1
InChIInChI=1S/C12H15BrN2O3S/c1-7-3-8(2)12(10(13)4-7)15-6-9(5-11(15)16)19(14,17)18/h3-4,9H,5-6H2,1-2H3,(H2,14,17,18)
InChIKeyPLWRGFVEZOENPX-UHFFFAOYSA-N
MW347.23 g/mol
LogP1.46
Rot. Bonds2

About 1-(2-bromo-4,6-dimethylphenyl)-5-oxopyrrolidine-3-sulfonamide

1-(2-bromo-4,6-dimethylphenyl)-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168717703) has the molecular formula C12H15BrN2O3S and a molecular weight of 347.23 g/mol. Its IUPAC name is 1-(2-bromo-4,6-dimethylphenyl)-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-(2-bromo-4,6-dimethylphenyl)-5-oxopyrrolidine-3-sulfonamide
PubChem CID168717703
Molecular FormulaC12H15BrN2O3S
Molecular Weight347.23 g/mol
Exact Mass346.00
IUPAC Name1-(2-bromo-4,6-dimethylphenyl)-5-oxopyrrolidine-3-sulfonamide
SMILESCc1cc(C)c(N2CC(S(N)(=O)=O)CC2=O)c(Br)c1
InChIInChI=1S/C12H15BrN2O3S/c1-7-3-8(2)12(10(13)4-7)15-6-9(5-11(15)16)19(14,17)18/h3-4,9H,5-6H2,1-2H3,(H2,14,17,18)
InChIKeyPLWRGFVEZOENPX-UHFFFAOYSA-N
XLogP1.46
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.23
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-hydroxy-2,6-dimethylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717885
1-(3-amino-2,4,6-trimethylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717612
1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717870
[1-(2-bromo-4,6-dimethylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675971
1-(5-bromo-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717723
1-(4-bromo-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717628
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-(5-bromo-4,6-dimethyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717881
1-(3,4-dibromophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718706
1-(2-bromo-6-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718558
2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-3,5-dimethylbenzoic acid
CID 168714376

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4,6-dimethylphenyl)-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-(2-bromo-4,6-dimethylphenyl)-5-oxopyrrolidine-3-sulfonamide (CID 168717703) is 1-(2-bromo-4,6-dimethylphenyl)-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-(2-bromo-4,6-dimethylphenyl)-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-(2-bromo-4,6-dimethylphenyl)-5-oxopyrrolidine-3-sulfonamide is Cc1cc(C)c(N2CC(S(N)(=O)=O)CC2=O)c(Br)c1.
What is the InChIKey of 1-(2-bromo-4,6-dimethylphenyl)-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is PLWRGFVEZOENPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O3S/c1-7-3-8(2)12(10(13)4-7)15-6-9(5-11(15)16)19(14,17)18/h3-4,9H,5-6H2,1-2H3,(H2,14,17,18).
What are the key properties of 1-(2-bromo-4,6-dimethylphenyl)-5-oxopyrrolidine-3-sulfonamide?
1-(2-bromo-4,6-dimethylphenyl)-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 347.23 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4,6-dimethylphenyl)-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168717703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).