2-methoxy-5-methyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide

C15H14F3NO3S — CID 935101

IUPAC2-methoxy-5-methyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H14F3NO3S/c1-10-6-7-13(22-2)14(8-10)23(20,21)19-12-5-3-4-11(9-12)15(16,17)18/h3-9,19H,1-2H3
InChIKeyCFEDFRXSHUOJHH-UHFFFAOYSA-N
MW345.34 g/mol
LogP3.82
Rot. Bonds4

About 2-methoxy-5-methyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide

2-methoxy-5-methyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 935101) has the molecular formula C15H14F3NO3S and a molecular weight of 345.34 g/mol. Its IUPAC name is 2-methoxy-5-methyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-methyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID935101
Molecular FormulaC15H14F3NO3S
Molecular Weight345.34 g/mol
Exact Mass345.06
IUPAC Name2-methoxy-5-methyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H14F3NO3S/c1-10-6-7-13(22-2)14(8-10)23(20,21)19-12-5-3-4-11(9-12)15(16,17)18/h3-9,19H,1-2H3
InChIKeyCFEDFRXSHUOJHH-UHFFFAOYSA-N
XLogP3.82
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.34
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methoxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 2442232
4-methoxy-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 755970
4-methoxy-N-(2-methylphenyl)benzenesulfonamide
CID 796476
N-(4-ethylphenyl)-2,5-dimethoxybenzenesulfonamide
CID 768866
5-ethyl-2-methoxy-N-(2-methylphenyl)benzenesulfonamide
CID 847860
N-(4-fluorophenyl)-2-methoxy-5-methylbenzenesulfonamide
CID 850025
N-(3,4-dimethylphenyl)-2,5-dimethoxybenzenesulfonamide
CID 891616
N-(2,5-dichlorophenyl)-2-methoxy-5-methylbenzenesulfonamide
CID 900828
2-methoxy-N-(3-methoxyphenyl)-5-methylbenzenesulfonamide
CID 934507
2-methoxy-5-methyl-N-(2-methylphenyl)benzenesulfonamide
CID 934797
N-(3,5-dimethylphenyl)-4-fluoro-3-methoxybenzenesulfonamide
CID 935345
N-(3-chlorophenyl)-2-methoxy-5-methylbenzenesulfonamide
CID 967894

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 2-methoxy-5-methyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide (CID 935101) is 2-methoxy-5-methyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-methyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-5-methyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-methoxy-5-methyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is CFEDFRXSHUOJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO3S/c1-10-6-7-13(22-2)14(8-10)23(20,21)19-12-5-3-4-11(9-12)15(16,17)18/h3-9,19H,1-2H3.
What are the key properties of 2-methoxy-5-methyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
2-methoxy-5-methyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 345.34 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 935101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).