4-methyl-N-[4-propan-2-yl-2-(2,2,2-trifluoroacetyl)phenyl]benzenesulfonamide

C18H18F3NO3S — CID 171481855

IUPAC4-methyl-N-[4-propan-2-yl-2-(2,2,2-trifluoroacetyl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(C)C)cc2C(=O)C(F)(F)F)cc1
InChIInChI=1S/C18H18F3NO3S/c1-11(2)13-6-9-16(15(10-13)17(23)18(19,20)21)22-26(24,25)14-7-4-12(3)5-8-14/h4-11,22H,1-3H3
InChIKeyRAZZYUODKUNPPI-UHFFFAOYSA-N
MW385.41 g/mol
LogP4.66
Rot. Bonds5

About 4-methyl-N-[4-propan-2-yl-2-(2,2,2-trifluoroacetyl)phenyl]benzenesulfonamide

4-methyl-N-[4-propan-2-yl-2-(2,2,2-trifluoroacetyl)phenyl]benzenesulfonamide (PubChem CID 171481855) has the molecular formula C18H18F3NO3S and a molecular weight of 385.41 g/mol. Its IUPAC name is 4-methyl-N-[4-propan-2-yl-2-(2,2,2-trifluoroacetyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[4-propan-2-yl-2-(2,2,2-trifluoroacetyl)phenyl]benzenesulfonamide
PubChem CID171481855
Molecular FormulaC18H18F3NO3S
Molecular Weight385.41 g/mol
Exact Mass385.10
IUPAC Name4-methyl-N-[4-propan-2-yl-2-(2,2,2-trifluoroacetyl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(C)C)cc2C(=O)C(F)(F)F)cc1
InChIInChI=1S/C18H18F3NO3S/c1-11(2)13-6-9-16(15(10-13)17(23)18(19,20)21)22-26(24,25)14-7-4-12(3)5-8-14/h4-11,22H,1-3H3
InChIKeyRAZZYUODKUNPPI-UHFFFAOYSA-N
XLogP4.66
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.41
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[4-methylsulfanyl-2-(2,2,2-trifluoroacetyl)phenyl]benzenesulfonamide
CID 168865490
4-methyl-N-[2-(2,2,2-trifluoroacetyl)-4-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 169373254
N-tert-butyl-5-methyl-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 102223921
N-(2,5-dimethylphenyl)-4-propan-2-ylbenzenesulfonamide
CID 7573896
4-methyl-N-[4-methyl-2-(4-methylbenzoyl)phenyl]benzenesulfonamide
CID 13139068
N-(2,4-dimethylphenyl)-4-(1-hydroxyethyl)benzenesulfonamide
CID 43507393
2-[(4-propan-2-ylphenyl)sulfonylamino]benzoate
CID 7574221
N-[4-fluoro-2-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]acetamide
CID 113093010
2-tert-butyl-N-[4-methoxy-2-(2,2,2-trifluoroacetyl)phenyl]-4-methylbenzenesulfonamide
CID 175545105
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
CID 3761633
N-[4-fluoro-2-(2-hydroxyacetyl)phenyl]-4-methylbenzenesulfonamide
CID 153295632
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-propan-2-ylbenzamide
CID 3628664

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-propan-2-yl-2-(2,2,2-trifluoroacetyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[4-propan-2-yl-2-(2,2,2-trifluoroacetyl)phenyl]benzenesulfonamide (CID 171481855) is 4-methyl-N-[4-propan-2-yl-2-(2,2,2-trifluoroacetyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[4-propan-2-yl-2-(2,2,2-trifluoroacetyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[4-propan-2-yl-2-(2,2,2-trifluoroacetyl)phenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(C(C)C)cc2C(=O)C(F)(F)F)cc1.
What is the InChIKey of 4-methyl-N-[4-propan-2-yl-2-(2,2,2-trifluoroacetyl)phenyl]benzenesulfonamide?
The InChIKey is RAZZYUODKUNPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO3S/c1-11(2)13-6-9-16(15(10-13)17(23)18(19,20)21)22-26(24,25)14-7-4-12(3)5-8-14/h4-11,22H,1-3H3.
What are the key properties of 4-methyl-N-[4-propan-2-yl-2-(2,2,2-trifluoroacetyl)phenyl]benzenesulfonamide?
4-methyl-N-[4-propan-2-yl-2-(2,2,2-trifluoroacetyl)phenyl]benzenesulfonamide has a molecular weight of 385.41 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-propan-2-yl-2-(2,2,2-trifluoroacetyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 171481855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).