N-(2,4-dimethylphenyl)sulfonyl-4,4,4-trifluorobutanamide

C12H14F3NO3S — CID 146129663

IUPACN-(2,4-dimethylphenyl)sulfonyl-4,4,4-trifluorobutanamide
SMILESCc1ccc(S(=O)(=O)NC(=O)CCC(F)(F)F)c(C)c1
InChIInChI=1S/C12H14F3NO3S/c1-8-3-4-10(9(2)7-8)20(18,19)16-11(17)5-6-12(13,14)15/h3-4,7H,5-6H2,1-2H3,(H,16,17)
InChIKeyOSAJMULHSPZYNL-UHFFFAOYSA-N
MW309.31 g/mol
LogP2.45
Rot. Bonds4

About N-(2,4-dimethylphenyl)sulfonyl-4,4,4-trifluorobutanamide

N-(2,4-dimethylphenyl)sulfonyl-4,4,4-trifluorobutanamide (PubChem CID 146129663) has the molecular formula C12H14F3NO3S and a molecular weight of 309.31 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)sulfonyl-4,4,4-trifluorobutanamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)sulfonyl-4,4,4-trifluorobutanamide
PubChem CID146129663
Molecular FormulaC12H14F3NO3S
Molecular Weight309.31 g/mol
Exact Mass309.06
IUPAC NameN-(2,4-dimethylphenyl)sulfonyl-4,4,4-trifluorobutanamide
SMILESCc1ccc(S(=O)(=O)NC(=O)CCC(F)(F)F)c(C)c1
InChIInChI=1S/C12H14F3NO3S/c1-8-3-4-10(9(2)7-8)20(18,19)16-11(17)5-6-12(13,14)15/h3-4,7H,5-6H2,1-2H3,(H,16,17)
InChIKeyOSAJMULHSPZYNL-UHFFFAOYSA-N
XLogP2.45
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-4-oxopentanamide
CID 108574932
3-[(2,4-dimethylphenyl)sulfonylamino]-2,2-dimethylpropanoic acid
CID 115427434
N-(4-amino-2,2-dimethylbutyl)-2,4-dimethylbenzenesulfonamide
CID 106141546
N-(2,5-dimethylphenyl)sulfonyl-4-ethoxybutanamide
CID 47269188
N-(2,5-dimethylphenyl)sulfonyl-4-methoxybutanamide
CID 47269187
3-[(2,4-dimethylphenyl)sulfonylamino]-N-(2-hydroxyethyl)propanamide
CID 78783386
3-[(2,4-dimethylphenyl)sulfonylamino]-N-(4-fluorophenyl)propanamide
CID 51162258
N-(2,5-dimethylphenyl)sulfonyl-2-ethoxyacetamide
CID 146132180
6-acetamido-N-(2,5-dimethylphenyl)sulfonylhexanamide
CID 47052057
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 31391784
N-(2-hydroxy-2-methylbutyl)-2,4-dimethylbenzenesulfonamide
CID 65113169
2-[(2,4-dimethylphenyl)sulfonylamino]-N-(2-methylphenyl)acetamide
CID 112996080

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)sulfonyl-4,4,4-trifluorobutanamide?
The IUPAC name of N-(2,4-dimethylphenyl)sulfonyl-4,4,4-trifluorobutanamide (CID 146129663) is N-(2,4-dimethylphenyl)sulfonyl-4,4,4-trifluorobutanamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)sulfonyl-4,4,4-trifluorobutanamide?
The canonical SMILES for N-(2,4-dimethylphenyl)sulfonyl-4,4,4-trifluorobutanamide is Cc1ccc(S(=O)(=O)NC(=O)CCC(F)(F)F)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)sulfonyl-4,4,4-trifluorobutanamide?
The InChIKey is OSAJMULHSPZYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO3S/c1-8-3-4-10(9(2)7-8)20(18,19)16-11(17)5-6-12(13,14)15/h3-4,7H,5-6H2,1-2H3,(H,16,17).
What are the key properties of N-(2,4-dimethylphenyl)sulfonyl-4,4,4-trifluorobutanamide?
N-(2,4-dimethylphenyl)sulfonyl-4,4,4-trifluorobutanamide has a molecular weight of 309.31 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)sulfonyl-4,4,4-trifluorobutanamide is sourced from PubChem (CID 146129663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).