3-acetyl-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide

C12H14F3NO3S — CID 61384500

IUPAC3-acetyl-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)N(C)CCC(F)(F)F)c1
InChIInChI=1S/C12H14F3NO3S/c1-9(17)10-4-3-5-11(8-10)20(18,19)16(2)7-6-12(13,14)15/h3-5,8H,6-7H2,1-2H3
InChIKeyAIZKCULFLNGWLZ-UHFFFAOYSA-N
MW309.31 g/mol
LogP2.46
Rot. Bonds5

About 3-acetyl-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide

3-acetyl-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide (PubChem CID 61384500) has the molecular formula C12H14F3NO3S and a molecular weight of 309.31 g/mol. Its IUPAC name is 3-acetyl-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide
PubChem CID61384500
Molecular FormulaC12H14F3NO3S
Molecular Weight309.31 g/mol
Exact Mass309.06
IUPAC Name3-acetyl-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)N(C)CCC(F)(F)F)c1
InChIInChI=1S/C12H14F3NO3S/c1-9(17)10-4-3-5-11(8-10)20(18,19)16(2)7-6-12(13,14)15/h3-5,8H,6-7H2,1-2H3
InChIKeyAIZKCULFLNGWLZ-UHFFFAOYSA-N
XLogP2.46
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl(3,3,3-trifluoropropyl)sulfamoyl]benzoic acid
CID 61384560
3-acetyl-N-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 43272373
3-cyano-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 61384532
3-acetyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 26544493
3-acetyl-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61384835
3-acetyl-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 110716109
3-[3-(dimethylamino)propyl-methylsulfamoyl]benzoic acid
CID 63694828
3-[methyl(2,2,2-trifluoroethyl)sulfamoyl]benzenecarbothioamide
CID 60890642
3-acetyl-N-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
CID 110604973
3-acetyl-N-(2-cyanopropyl)-N-methylbenzenesulfonamide
CID 47204653
3-[5-hydroxypentyl(methyl)sulfamoyl]benzoic acid
CID 104651414
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-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide?
The IUPAC name of 3-acetyl-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide (CID 61384500) is 3-acetyl-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide is CC(=O)c1cccc(S(=O)(=O)N(C)CCC(F)(F)F)c1.
What is the InChIKey of 3-acetyl-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide?
The InChIKey is AIZKCULFLNGWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO3S/c1-9(17)10-4-3-5-11(8-10)20(18,19)16(2)7-6-12(13,14)15/h3-5,8H,6-7H2,1-2H3.
What are the key properties of 3-acetyl-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide?
3-acetyl-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide has a molecular weight of 309.31 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide is sourced from PubChem (CID 61384500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).