3-chloro-2-fluoro-N-piperidin-4-ylbenzenesulfonamide

C11H14ClFN2O2S — CID 43603338

IUPAC3-chloro-2-fluoro-N-piperidin-4-ylbenzenesulfonamide
SMILESO=S(=O)(NC1CCNCC1)c1cccc(Cl)c1F
InChIInChI=1S/C11H14ClFN2O2S/c12-9-2-1-3-10(11(9)13)18(16,17)15-8-4-6-14-7-5-8/h1-3,8,14-15H,4-7H2
InChIKeyZFRQUEDKUGXUOY-UHFFFAOYSA-N
MW292.76 g/mol
LogP1.51
Rot. Bonds3

About 3-chloro-2-fluoro-N-piperidin-4-ylbenzenesulfonamide

3-chloro-2-fluoro-N-piperidin-4-ylbenzenesulfonamide (PubChem CID 43603338) has the molecular formula C11H14ClFN2O2S and a molecular weight of 292.76 g/mol. Its IUPAC name is 3-chloro-2-fluoro-N-piperidin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-2-fluoro-N-piperidin-4-ylbenzenesulfonamide
PubChem CID43603338
Molecular FormulaC11H14ClFN2O2S
Molecular Weight292.76 g/mol
Exact Mass292.04
IUPAC Name3-chloro-2-fluoro-N-piperidin-4-ylbenzenesulfonamide
SMILESO=S(=O)(NC1CCNCC1)c1cccc(Cl)c1F
InChIInChI=1S/C11H14ClFN2O2S/c12-9-2-1-3-10(11(9)13)18(16,17)15-8-4-6-14-7-5-8/h1-3,8,14-15H,4-7H2
InChIKeyZFRQUEDKUGXUOY-UHFFFAOYSA-N
XLogP1.51
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.76
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-fluoro-N-piperidin-4-ylbenzenesulfonamide?
The IUPAC name of 3-chloro-2-fluoro-N-piperidin-4-ylbenzenesulfonamide (CID 43603338) is 3-chloro-2-fluoro-N-piperidin-4-ylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-2-fluoro-N-piperidin-4-ylbenzenesulfonamide?
The canonical SMILES for 3-chloro-2-fluoro-N-piperidin-4-ylbenzenesulfonamide is O=S(=O)(NC1CCNCC1)c1cccc(Cl)c1F.
What is the InChIKey of 3-chloro-2-fluoro-N-piperidin-4-ylbenzenesulfonamide?
The InChIKey is ZFRQUEDKUGXUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2O2S/c12-9-2-1-3-10(11(9)13)18(16,17)15-8-4-6-14-7-5-8/h1-3,8,14-15H,4-7H2.
What are the key properties of 3-chloro-2-fluoro-N-piperidin-4-ylbenzenesulfonamide?
3-chloro-2-fluoro-N-piperidin-4-ylbenzenesulfonamide has a molecular weight of 292.76 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-fluoro-N-piperidin-4-ylbenzenesulfonamide is sourced from PubChem (CID 43603338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).