3-acetyl-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide

C13H14F3NO3S — CID 61384835

IUPAC3-acetyl-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)N(CC(F)(F)F)C2CC2)c1
InChIInChI=1S/C13H14F3NO3S/c1-9(18)10-3-2-4-12(7-10)21(19,20)17(11-5-6-11)8-13(14,15)16/h2-4,7,11H,5-6,8H2,1H3
InChIKeyLJFPJALZKQGPSK-UHFFFAOYSA-N
MW321.32 g/mol
LogP2.60
Rot. Bonds5

About 3-acetyl-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide

3-acetyl-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (PubChem CID 61384835) has the molecular formula C13H14F3NO3S and a molecular weight of 321.32 g/mol. Its IUPAC name is 3-acetyl-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
PubChem CID61384835
Molecular FormulaC13H14F3NO3S
Molecular Weight321.32 g/mol
Exact Mass321.06
IUPAC Name3-acetyl-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)N(CC(F)(F)F)C2CC2)c1
InChIInChI=1S/C13H14F3NO3S/c1-9(18)10-3-2-4-12(7-10)21(19,20)17(11-5-6-11)8-13(14,15)16/h2-4,7,11H,5-6,8H2,1H3
InChIKeyLJFPJALZKQGPSK-UHFFFAOYSA-N
XLogP2.60
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.32
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-acetylphenyl)sulfonyl-cyclopropylamino]propanoic acid
CID 60718163
3-acetyl-N-piperidin-4-yl-N-propylbenzenesulfonamide
CID 119994136
3-acetyl-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 110715950
3-acetyl-N-[2-(dimethylamino)ethyl]-N-(oxan-4-yl)benzenesulfonamide
CID 90607213
3-acetyl-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 61384500
3-[cyclopropyl(methyl)sulfamoyl]benzoic acid
CID 43247619
4-bromo-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 54983714
3-acetyl-N-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 43272373
N-cyclopropyl-N-(2-methoxyethyl)-3-propanoylbenzenesulfonamide
CID 61251839
3-acetyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 63274742
3-[cyclopropyl(ethyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791269
2-[(3-acetylphenyl)sulfonyl-methylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 17396453

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The IUPAC name of 3-acetyl-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (CID 61384835) is 3-acetyl-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is CC(=O)c1cccc(S(=O)(=O)N(CC(F)(F)F)C2CC2)c1.
What is the InChIKey of 3-acetyl-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The InChIKey is LJFPJALZKQGPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO3S/c1-9(18)10-3-2-4-12(7-10)21(19,20)17(11-5-6-11)8-13(14,15)16/h2-4,7,11H,5-6,8H2,1H3.
What are the key properties of 3-acetyl-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
3-acetyl-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide has a molecular weight of 321.32 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is sourced from PubChem (CID 61384835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).