N-[2-(2-methoxy-5-methylphenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide

C17H18F3NO3S — CID 26539867

IUPACN-[2-(2-methoxy-5-methylphenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESCOc1ccc(C)cc1CCNS(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H18F3NO3S/c1-12-3-8-16(24-2)13(11-12)9-10-21-25(22,23)15-6-4-14(5-7-15)17(18,19)20/h3-8,11,21H,9-10H2,1-2H3
InChIKeyQMZZYQOLXRDQQK-UHFFFAOYSA-N
MW373.40 g/mol
LogP3.54
Rot. Bonds6

About N-[2-(2-methoxy-5-methylphenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide

N-[2-(2-methoxy-5-methylphenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 26539867) has the molecular formula C17H18F3NO3S and a molecular weight of 373.40 g/mol. Its IUPAC name is N-[2-(2-methoxy-5-methylphenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2-methoxy-5-methylphenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
PubChem CID26539867
Molecular FormulaC17H18F3NO3S
Molecular Weight373.40 g/mol
Exact Mass373.10
IUPAC NameN-[2-(2-methoxy-5-methylphenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESCOc1ccc(C)cc1CCNS(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H18F3NO3S/c1-12-3-8-16(24-2)13(11-12)9-10-21-25(22,23)15-6-4-14(5-7-15)17(18,19)20/h3-8,11,21H,9-10H2,1-2H3
InChIKeyQMZZYQOLXRDQQK-UHFFFAOYSA-N
XLogP3.54
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.40
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5-fluoro-2-methoxyphenyl)ethyl]benzenesulfonamide
CID 110787683
4-[(2-methoxy-5-methylphenyl)methylsulfamoyl]benzoic acid
CID 110779875
N-[2-(2,4-dimethylphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 3861014
N-[2-(2-fluorophenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
CID 9301017
N-[2-(2-methoxy-5-methylphenyl)ethyl]-1-phenylmethanesulfonamide
CID 110787472
N-propyl-4-(trifluoromethyl)benzenesulfonamide
CID 43212868
N-[2-(2-methoxy-4-methylphenoxy)ethyl]-4-methylbenzenesulfonamide
CID 113101853
N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 9049975
4-(difluoromethylsulfonyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 9050026
2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 126204978
methyl 2,3-dimethoxy-6-[(2S,3S)-3-[6-[2-[[4-(trifluoromethyl)phenyl]sulfonylamino]ethyl]-1,3-benzodioxol-5-yl]oxiran-2-yl]benzoate
CID 155681626
N-(2-pyridin-4-ylethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 3758461

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxy-5-methylphenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[2-(2-methoxy-5-methylphenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide (CID 26539867) is N-[2-(2-methoxy-5-methylphenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[2-(2-methoxy-5-methylphenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[2-(2-methoxy-5-methylphenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide is COc1ccc(C)cc1CCNS(=O)(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-(2-methoxy-5-methylphenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is QMZZYQOLXRDQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3NO3S/c1-12-3-8-16(24-2)13(11-12)9-10-21-25(22,23)15-6-4-14(5-7-15)17(18,19)20/h3-8,11,21H,9-10H2,1-2H3.
What are the key properties of N-[2-(2-methoxy-5-methylphenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide?
N-[2-(2-methoxy-5-methylphenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 373.40 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxy-5-methylphenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 26539867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).