1-[(4-bromo-3-fluorophenyl)methyl]pyrrolidine-3-sulfonamide

C11H14BrFN2O2S — CID 71908880

IUPAC1-[(4-bromo-3-fluorophenyl)methyl]pyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CCN(Cc2ccc(Br)c(F)c2)C1
InChIInChI=1S/C11H14BrFN2O2S/c12-10-2-1-8(5-11(10)13)6-15-4-3-9(7-15)18(14,16)17/h1-2,5,9H,3-4,6-7H2,(H2,14,16,17)
InChIKeyZTWNDVSLXDBBAA-UHFFFAOYSA-N
MW337.21 g/mol
LogP1.45
Rot. Bonds3

About 1-[(4-bromo-3-fluorophenyl)methyl]pyrrolidine-3-sulfonamide

1-[(4-bromo-3-fluorophenyl)methyl]pyrrolidine-3-sulfonamide (PubChem CID 71908880) has the molecular formula C11H14BrFN2O2S and a molecular weight of 337.21 g/mol. Its IUPAC name is 1-[(4-bromo-3-fluorophenyl)methyl]pyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-[(4-bromo-3-fluorophenyl)methyl]pyrrolidine-3-sulfonamide
PubChem CID71908880
Molecular FormulaC11H14BrFN2O2S
Molecular Weight337.21 g/mol
Exact Mass335.99
IUPAC Name1-[(4-bromo-3-fluorophenyl)methyl]pyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CCN(Cc2ccc(Br)c(F)c2)C1
InChIInChI=1S/C11H14BrFN2O2S/c12-10-2-1-8(5-11(10)13)6-15-4-3-9(7-15)18(14,16)17/h1-2,5,9H,3-4,6-7H2,(H2,14,16,17)
InChIKeyZTWNDVSLXDBBAA-UHFFFAOYSA-N
XLogP1.45
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromo-3-fluorophenyl)methyl]pyrrolidine-3-sulfonamide?
The IUPAC name of 1-[(4-bromo-3-fluorophenyl)methyl]pyrrolidine-3-sulfonamide (CID 71908880) is 1-[(4-bromo-3-fluorophenyl)methyl]pyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-[(4-bromo-3-fluorophenyl)methyl]pyrrolidine-3-sulfonamide?
The canonical SMILES for 1-[(4-bromo-3-fluorophenyl)methyl]pyrrolidine-3-sulfonamide is NS(=O)(=O)C1CCN(Cc2ccc(Br)c(F)c2)C1.
What is the InChIKey of 1-[(4-bromo-3-fluorophenyl)methyl]pyrrolidine-3-sulfonamide?
The InChIKey is ZTWNDVSLXDBBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O2S/c12-10-2-1-8(5-11(10)13)6-15-4-3-9(7-15)18(14,16)17/h1-2,5,9H,3-4,6-7H2,(H2,14,16,17).
What are the key properties of 1-[(4-bromo-3-fluorophenyl)methyl]pyrrolidine-3-sulfonamide?
1-[(4-bromo-3-fluorophenyl)methyl]pyrrolidine-3-sulfonamide has a molecular weight of 337.21 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromo-3-fluorophenyl)methyl]pyrrolidine-3-sulfonamide is sourced from PubChem (CID 71908880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).