4-fluoro-N-pentan-3-ylbenzenesulfonamide

C11H16FNO2S — CID 884506

IUPAC4-fluoro-N-pentan-3-ylbenzenesulfonamide
SMILESCCC(CC)NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H16FNO2S/c1-3-10(4-2)13-16(14,15)11-7-5-9(12)6-8-11/h5-8,10,13H,3-4H2,1-2H3
InChIKeyZBEZXXSFQAVEJE-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.29
Rot. Bonds5

About 4-fluoro-N-pentan-3-ylbenzenesulfonamide

4-fluoro-N-pentan-3-ylbenzenesulfonamide (PubChem CID 884506) has the molecular formula C11H16FNO2S and a molecular weight of 245.32 g/mol. Its IUPAC name is 4-fluoro-N-pentan-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-pentan-3-ylbenzenesulfonamide
PubChem CID884506
Molecular FormulaC11H16FNO2S
Molecular Weight245.32 g/mol
Exact Mass245.09
IUPAC Name4-fluoro-N-pentan-3-ylbenzenesulfonamide
SMILESCCC(CC)NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H16FNO2S/c1-3-10(4-2)13-16(14,15)11-7-5-9(12)6-8-11/h5-8,10,13H,3-4H2,1-2H3
InChIKeyZBEZXXSFQAVEJE-UHFFFAOYSA-N
XLogP2.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-pentan-3-ylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N-pentan-3-ylbenzenesulfonamide (CID 884506) is 4-fluoro-N-pentan-3-ylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-pentan-3-ylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-pentan-3-ylbenzenesulfonamide is CCC(CC)NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-pentan-3-ylbenzenesulfonamide?
The InChIKey is ZBEZXXSFQAVEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO2S/c1-3-10(4-2)13-16(14,15)11-7-5-9(12)6-8-11/h5-8,10,13H,3-4H2,1-2H3.
What are the key properties of 4-fluoro-N-pentan-3-ylbenzenesulfonamide?
4-fluoro-N-pentan-3-ylbenzenesulfonamide has a molecular weight of 245.32 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-pentan-3-ylbenzenesulfonamide is sourced from PubChem (CID 884506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).