N-(2,4-dimethoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide

C15H14F3NO4S — CID 26979627

IUPACN-(2,4-dimethoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccccc2C(F)(F)F)c(OC)c1
InChIInChI=1S/C15H14F3NO4S/c1-22-10-7-8-12(13(9-10)23-2)19-24(20,21)14-6-4-3-5-11(14)15(16,17)18/h3-9,19H,1-2H3
InChIKeyHEHJUMATFRZTQC-UHFFFAOYSA-N
MW361.34 g/mol
LogP3.52
Rot. Bonds5

About N-(2,4-dimethoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide

N-(2,4-dimethoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 26979627) has the molecular formula C15H14F3NO4S and a molecular weight of 361.34 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide
PubChem CID26979627
Molecular FormulaC15H14F3NO4S
Molecular Weight361.34 g/mol
Exact Mass361.06
IUPAC NameN-(2,4-dimethoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccccc2C(F)(F)F)c(OC)c1
InChIInChI=1S/C15H14F3NO4S/c1-22-10-7-8-12(13(9-10)23-2)19-24(20,21)14-6-4-3-5-11(14)15(16,17)18/h3-9,19H,1-2H3
InChIKeyHEHJUMATFRZTQC-UHFFFAOYSA-N
XLogP3.52
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.34
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-4-methoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide
CID 60597504
2-amino-N-(2,4-dimethoxyphenyl)benzenesulfonamide
CID 28590092
4-methoxy-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 47063072
N-(2-methoxydibenzofuran-3-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 2444978
2-(trifluoromethyl)-N-[4-[[2-(trifluoromethyl)phenyl]sulfonylamino]naphthalen-1-yl]benzenesulfonamide
CID 172801513
N-(2,4-dimethoxyphenyl)-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 113098643
N-(5-methoxy-3-pyridinyl)-2-(trifluoromethyl)benzenesulfonamide
CID 134137036
methyl 5-methoxy-2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzoate
CID 47951627
N-(2,4-dimethoxyphenyl)-2,3,4-trifluorobenzenesulfonamide
CID 2621668
5-chloro-N-(2,4-dimethoxyphenyl)-2-fluorobenzenesulfonamide
CID 110759387
N-(2,4-dimethoxyphenyl)-4-phenoxybenzenesulfonamide
CID 46764272
N-(2,4-dichlorophenyl)-2-(trifluoromethyl)benzenesulfonamide
CID 18289032

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide (CID 26979627) is N-(2,4-dimethoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccccc2C(F)(F)F)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is HEHJUMATFRZTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO4S/c1-22-10-7-8-12(13(9-10)23-2)19-24(20,21)14-6-4-3-5-11(14)15(16,17)18/h3-9,19H,1-2H3.
What are the key properties of N-(2,4-dimethoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide?
N-(2,4-dimethoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 361.34 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 26979627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).