2-bromo-4-fluoro-N-piperidin-4-ylbenzenesulfonamide

C11H14BrFN2O2S — CID 60823736

IUPAC2-bromo-4-fluoro-N-piperidin-4-ylbenzenesulfonamide
SMILESO=S(=O)(NC1CCNCC1)c1ccc(F)cc1Br
InChIInChI=1S/C11H14BrFN2O2S/c12-10-7-8(13)1-2-11(10)18(16,17)15-9-3-5-14-6-4-9/h1-2,7,9,14-15H,3-6H2
InChIKeyPGBHRNJOZQTVDA-UHFFFAOYSA-N
MW337.21 g/mol
LogP1.62
Rot. Bonds3

About 2-bromo-4-fluoro-N-piperidin-4-ylbenzenesulfonamide

2-bromo-4-fluoro-N-piperidin-4-ylbenzenesulfonamide (PubChem CID 60823736) has the molecular formula C11H14BrFN2O2S and a molecular weight of 337.21 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-piperidin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-piperidin-4-ylbenzenesulfonamide
PubChem CID60823736
Molecular FormulaC11H14BrFN2O2S
Molecular Weight337.21 g/mol
Exact Mass335.99
IUPAC Name2-bromo-4-fluoro-N-piperidin-4-ylbenzenesulfonamide
SMILESO=S(=O)(NC1CCNCC1)c1ccc(F)cc1Br
InChIInChI=1S/C11H14BrFN2O2S/c12-10-7-8(13)1-2-11(10)18(16,17)15-9-3-5-14-6-4-9/h1-2,7,9,14-15H,3-6H2
InChIKeyPGBHRNJOZQTVDA-UHFFFAOYSA-N
XLogP1.62
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-piperidin-4-ylbenzenesulfonamide?
The IUPAC name of 2-bromo-4-fluoro-N-piperidin-4-ylbenzenesulfonamide (CID 60823736) is 2-bromo-4-fluoro-N-piperidin-4-ylbenzenesulfonamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-piperidin-4-ylbenzenesulfonamide?
The canonical SMILES for 2-bromo-4-fluoro-N-piperidin-4-ylbenzenesulfonamide is O=S(=O)(NC1CCNCC1)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-4-fluoro-N-piperidin-4-ylbenzenesulfonamide?
The InChIKey is PGBHRNJOZQTVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O2S/c12-10-7-8(13)1-2-11(10)18(16,17)15-9-3-5-14-6-4-9/h1-2,7,9,14-15H,3-6H2.
What are the key properties of 2-bromo-4-fluoro-N-piperidin-4-ylbenzenesulfonamide?
2-bromo-4-fluoro-N-piperidin-4-ylbenzenesulfonamide has a molecular weight of 337.21 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N-piperidin-4-ylbenzenesulfonamide is sourced from PubChem (CID 60823736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).