N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)benzenesulfonamide

C15H14F3NO3S — CID 3703506

IUPACN-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C15H14F3NO3S/c1-22-13-6-2-11(3-7-13)10-19-23(20,21)14-8-4-12(5-9-14)15(16,17)18/h2-9,19H,10H2,1H3
InChIKeyFBRYTJDZLMZALB-UHFFFAOYSA-N
MW345.34 g/mol
LogP3.19
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)benzenesulfonamide

N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 3703506) has the molecular formula C15H14F3NO3S and a molecular weight of 345.34 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)benzenesulfonamide
PubChem CID3703506
Molecular FormulaC15H14F3NO3S
Molecular Weight345.34 g/mol
Exact Mass345.06
IUPAC NameN-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C15H14F3NO3S/c1-22-13-6-2-11(3-7-13)10-19-23(20,21)14-8-4-12(5-9-14)15(16,17)18/h2-9,19H,10H2,1H3
InChIKeyFBRYTJDZLMZALB-UHFFFAOYSA-N
XLogP3.19
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.34
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-[(4-methoxyphenyl)methyl]benzene-1,4-disulfonamide
CID 26527057
N-benzyl-4-methoxybenzenesulfonamide
CID 741351
N-[(4-methoxyphenyl)methyl]-4-(methylamino)benzenesulfonamide
CID 43332057
methyl 4-[(4-methoxyphenyl)methylsulfamoyl]benzoate
CID 26527056
4-[(4-methoxyphenyl)methylsulfamoyl]benzamide
CID 27186990
N-[(4-fluorophenyl)methyl]-4-[[(4-methoxyphenyl)sulfonylamino]methyl]benzamide
CID 3311699
3,4-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 3520155
4-fluoro-3-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 7574386
N-[(3,4-dichlorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 897393
3-chloro-4-fluoro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 25039269
N-[[4-(trifluoromethyl)phenyl]methyl]methanesulfonamide
CID 4637501
4-[[(4-bromophenyl)sulfonylamino]methyl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 20854229

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)benzenesulfonamide (CID 3703506) is N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)benzenesulfonamide is COc1ccc(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is FBRYTJDZLMZALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO3S/c1-22-13-6-2-11(3-7-13)10-19-23(20,21)14-8-4-12(5-9-14)15(16,17)18/h2-9,19H,10H2,1H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)benzenesulfonamide?
N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 345.34 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 3703506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).