4-acetyl-N-(2,2-difluoroethyl)benzenesulfonamide

C10H11F2NO3S — CID 79090168

IUPAC4-acetyl-N-(2,2-difluoroethyl)benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCC(F)F)cc1
InChIInChI=1S/C10H11F2NO3S/c1-7(14)8-2-4-9(5-3-8)17(15,16)13-6-10(11)12/h2-5,10,13H,6H2,1H3
InChIKeyPBUYXRFHVKFBEO-UHFFFAOYSA-N
MW263.26 g/mol
LogP1.43
Rot. Bonds5

About 4-acetyl-N-(2,2-difluoroethyl)benzenesulfonamide

4-acetyl-N-(2,2-difluoroethyl)benzenesulfonamide (PubChem CID 79090168) has the molecular formula C10H11F2NO3S and a molecular weight of 263.26 g/mol. Its IUPAC name is 4-acetyl-N-(2,2-difluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-(2,2-difluoroethyl)benzenesulfonamide
PubChem CID79090168
Molecular FormulaC10H11F2NO3S
Molecular Weight263.26 g/mol
Exact Mass263.04
IUPAC Name4-acetyl-N-(2,2-difluoroethyl)benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCC(F)F)cc1
InChIInChI=1S/C10H11F2NO3S/c1-7(14)8-2-4-9(5-3-8)17(15,16)13-6-10(11)12/h2-5,10,13H,6H2,1H3
InChIKeyPBUYXRFHVKFBEO-UHFFFAOYSA-N
XLogP1.43
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-N-(2,2-dimethoxyethyl)benzenesulfonamide
CID 60643280
4-acetyl-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 63959176
4-acetyl-N-(2-chloroethyl)benzenesulfonamide
CID 61286446
4-acetyl-N-propylbenzenesulfonamide
CID 2064043
4-acetyl-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzenesulfonamide
CID 110663555
4-acetyl-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
CID 103836399
4-acetyl-N-[2-(dimethylamino)-2-phenylethyl]benzenesulfonamide
CID 4883799
4-acetyl-N-(3-hydroxybutyl)benzenesulfonamide
CID 64911235
4-acetyl-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]benzenesulfonamide
CID 47006082
(2S)-4-[(4-acetylphenyl)sulfonylamino]-2-hydroxybutanoic acid
CID 104934017
4-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl]-N-methylbenzamide
CID 103836774
(E)-3-[4-(2,2-difluoroethylsulfamoyl)phenyl]prop-2-enoic acid
CID 115405541

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(2,2-difluoroethyl)benzenesulfonamide?
The IUPAC name of 4-acetyl-N-(2,2-difluoroethyl)benzenesulfonamide (CID 79090168) is 4-acetyl-N-(2,2-difluoroethyl)benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-(2,2-difluoroethyl)benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-(2,2-difluoroethyl)benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)NCC(F)F)cc1.
What is the InChIKey of 4-acetyl-N-(2,2-difluoroethyl)benzenesulfonamide?
The InChIKey is PBUYXRFHVKFBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO3S/c1-7(14)8-2-4-9(5-3-8)17(15,16)13-6-10(11)12/h2-5,10,13H,6H2,1H3.
What are the key properties of 4-acetyl-N-(2,2-difluoroethyl)benzenesulfonamide?
4-acetyl-N-(2,2-difluoroethyl)benzenesulfonamide has a molecular weight of 263.26 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(2,2-difluoroethyl)benzenesulfonamide is sourced from PubChem (CID 79090168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).