1-[3-bromo-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonamide

C11H10BrF3N2O3S — CID 168719237

IUPAC1-[3-bromo-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(c2cc(Br)cc(C(F)(F)F)c2)C1
InChIInChI=1S/C11H10BrF3N2O3S/c12-7-1-6(11(13,14)15)2-8(3-7)17-5-9(4-10(17)18)21(16,19)20/h1-3,9H,4-5H2,(H2,16,19,20)
InChIKeyLDHTZHNAJJLHJX-UHFFFAOYSA-N
MW387.18 g/mol
LogP1.86
Rot. Bonds2

About 1-[3-bromo-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonamide

1-[3-bromo-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168719237) has the molecular formula C11H10BrF3N2O3S and a molecular weight of 387.18 g/mol. Its IUPAC name is 1-[3-bromo-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-[3-bromo-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonamide
PubChem CID168719237
Molecular FormulaC11H10BrF3N2O3S
Molecular Weight387.18 g/mol
Exact Mass385.95
IUPAC Name1-[3-bromo-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(c2cc(Br)cc(C(F)(F)F)c2)C1
InChIInChI=1S/C11H10BrF3N2O3S/c12-7-1-6(11(13,14)15)2-8(3-7)17-5-9(4-10(17)18)21(16,19)20/h1-3,9H,4-5H2,(H2,16,19,20)
InChIKeyLDHTZHNAJJLHJX-UHFFFAOYSA-N
XLogP1.86
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.18
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-oxo-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidine-3-sulfonamide
CID 168719239
1-(3-bromo-5-cyanophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168719230
1-[3-bromo-5-(trifluoromethyl)phenyl]-4-ethynylpyrrolidin-2-one
CID 168502675
1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717870
methyl 1-[3-bromo-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxylate
CID 168695124
1-(3,5-dichloro-4-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717575
1-(3,4-dibromophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718706
1-(3-bromo-4-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718709
1-(3-bromo-5-chlorophenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712735
1-[3,5-bis(hydroxymethyl)phenyl]-5-oxopyrrolidine-3-sulfonamide
CID 168719258
1-[5-methyl-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonamide
CID 168717866
5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-3-sulfonyl chloride
CID 168712792

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-[3-bromo-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonamide (CID 168719237) is 1-[3-bromo-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-[3-bromo-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-[3-bromo-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonamide is NS(=O)(=O)C1CC(=O)N(c2cc(Br)cc(C(F)(F)F)c2)C1.
What is the InChIKey of 1-[3-bromo-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is LDHTZHNAJJLHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrF3N2O3S/c12-7-1-6(11(13,14)15)2-8(3-7)17-5-9(4-10(17)18)21(16,19)20/h1-3,9H,4-5H2,(H2,16,19,20).
What are the key properties of 1-[3-bromo-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonamide?
1-[3-bromo-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 387.18 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168719237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).