N-[2-(2-methylphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide

C16H16F3NO3S — CID 9301745

IUPACN-[2-(2-methylphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESCc1ccccc1CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H16F3NO3S/c1-12-4-2-3-5-13(12)10-11-20-24(21,22)15-8-6-14(7-9-15)23-16(17,18)19/h2-9,20H,10-11H2,1H3
InChIKeyWCJUAYMDJYQVEO-UHFFFAOYSA-N
MW359.37 g/mol
LogP3.41
Rot. Bonds6

About N-[2-(2-methylphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide

N-[2-(2-methylphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 9301745) has the molecular formula C16H16F3NO3S and a molecular weight of 359.37 g/mol. Its IUPAC name is N-[2-(2-methylphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2-methylphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID9301745
Molecular FormulaC16H16F3NO3S
Molecular Weight359.37 g/mol
Exact Mass359.08
IUPAC NameN-[2-(2-methylphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESCc1ccccc1CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H16F3NO3S/c1-12-4-2-3-5-13(12)10-11-20-24(21,22)15-8-6-14(7-9-15)23-16(17,18)19/h2-9,20H,10-11H2,1H3
InChIKeyWCJUAYMDJYQVEO-UHFFFAOYSA-N
XLogP3.41
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.37
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,4-dimethylphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 3861014
N-[4-(2-methylphenoxy)but-2-ynyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 90575449
N-[(2-chlorophenyl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 26692097
N-[2-(2-fluorophenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
CID 9301017
6-(methylamino)-N-[2-(2-methylphenyl)ethyl]pyridine-3-sulfonamide
CID 79755229
2-chloro-N-[2-(2-methylphenyl)ethyl]pyrimidine-5-sulfonamide
CID 79763049
4-methoxy-N-[2-(2-sulfanylphenyl)ethyl]benzenesulfonamide
CID 57323122
4-[2-[4-(trifluoromethoxy)phenyl]ethylsulfamoyl]benzamide
CID 87032752
4-(2-methylphenoxy)-N-(2-phenylethyl)benzenesulfonamide
CID 3518199
2-(2-methylphenoxy)-N'-[4-(trifluoromethoxy)phenyl]sulfonylacetohydrazide
CID 8505935
N-[(2-chlorophenyl)methyl]-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide
CID 78781618
4-bromo-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 9300920

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[2-(2-methylphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide (CID 9301745) is N-[2-(2-methylphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[2-(2-methylphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[2-(2-methylphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide is Cc1ccccc1CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[2-(2-methylphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is WCJUAYMDJYQVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO3S/c1-12-4-2-3-5-13(12)10-11-20-24(21,22)15-8-6-14(7-9-15)23-16(17,18)19/h2-9,20H,10-11H2,1H3.
What are the key properties of N-[2-(2-methylphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide?
N-[2-(2-methylphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 359.37 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 9301745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).