4-acetyl-N-(2-fluoropropyl)benzenesulfonamide

C11H14FNO3S — CID 154715476

IUPAC4-acetyl-N-(2-fluoropropyl)benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCC(C)F)cc1
InChIInChI=1S/C11H14FNO3S/c1-8(12)7-13-17(15,16)11-5-3-10(4-6-11)9(2)14/h3-6,8,13H,7H2,1-2H3
InChIKeyLBRGLDUBQFRXTG-UHFFFAOYSA-N
MW259.30 g/mol
LogP1.53
Rot. Bonds5

About 4-acetyl-N-(2-fluoropropyl)benzenesulfonamide

4-acetyl-N-(2-fluoropropyl)benzenesulfonamide (PubChem CID 154715476) has the molecular formula C11H14FNO3S and a molecular weight of 259.30 g/mol. Its IUPAC name is 4-acetyl-N-(2-fluoropropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-(2-fluoropropyl)benzenesulfonamide
PubChem CID154715476
Molecular FormulaC11H14FNO3S
Molecular Weight259.30 g/mol
Exact Mass259.07
IUPAC Name4-acetyl-N-(2-fluoropropyl)benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCC(C)F)cc1
InChIInChI=1S/C11H14FNO3S/c1-8(12)7-13-17(15,16)11-5-3-10(4-6-11)9(2)14/h3-6,8,13H,7H2,1-2H3
InChIKeyLBRGLDUBQFRXTG-UHFFFAOYSA-N
XLogP1.53
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(2-fluoropropyl)benzenesulfonamide?
The IUPAC name of 4-acetyl-N-(2-fluoropropyl)benzenesulfonamide (CID 154715476) is 4-acetyl-N-(2-fluoropropyl)benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-(2-fluoropropyl)benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-(2-fluoropropyl)benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)NCC(C)F)cc1.
What is the InChIKey of 4-acetyl-N-(2-fluoropropyl)benzenesulfonamide?
The InChIKey is LBRGLDUBQFRXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO3S/c1-8(12)7-13-17(15,16)11-5-3-10(4-6-11)9(2)14/h3-6,8,13H,7H2,1-2H3.
What are the key properties of 4-acetyl-N-(2-fluoropropyl)benzenesulfonamide?
4-acetyl-N-(2-fluoropropyl)benzenesulfonamide has a molecular weight of 259.30 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(2-fluoropropyl)benzenesulfonamide is sourced from PubChem (CID 154715476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).