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

C17H18F3NO4S — CID 90598155

IUPACN-[2-methoxy-2-(2-methoxyphenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESCOc1ccccc1C(CNS(=O)(=O)c1ccc(C(F)(F)F)cc1)OC
InChIInChI=1S/C17H18F3NO4S/c1-24-15-6-4-3-5-14(15)16(25-2)11-21-26(22,23)13-9-7-12(8-10-13)17(18,19)20/h3-10,16,21H,11H2,1-2H3
InChIKeyHJKBZNGZTVUMNW-UHFFFAOYSA-N
MW389.40 g/mol
LogP3.38
Rot. Bonds7

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

N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 90598155) has the molecular formula C17H18F3NO4S and a molecular weight of 389.40 g/mol. Its IUPAC name is N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-methoxy-2-(2-methoxyphenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
PubChem CID90598155
Molecular FormulaC17H18F3NO4S
Molecular Weight389.40 g/mol
Exact Mass389.09
IUPAC NameN-[2-methoxy-2-(2-methoxyphenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESCOc1ccccc1C(CNS(=O)(=O)c1ccc(C(F)(F)F)cc1)OC
InChIInChI=1S/C17H18F3NO4S/c1-24-15-6-4-3-5-14(15)16(25-2)11-21-26(22,23)13-9-7-12(8-10-13)17(18,19)20/h3-10,16,21H,11H2,1-2H3
InChIKeyHJKBZNGZTVUMNW-UHFFFAOYSA-N
XLogP3.38
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.40
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methoxy-2-(2-methylphenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
CID 90598910
N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 90598156
2-fluoro-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 90598088
3-fluoro-4-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 71810535
N-[2-methoxy-2-(2-methylphenyl)ethyl]-4-methylbenzenesulfonamide
CID 90598840
N-[2-(2-chlorophenyl)-2-methoxyethyl]-3,4-dimethoxybenzenesulfonamide
CID 90623899
N-(2-ethylbutyl)-4-(trifluoromethyl)benzenesulfonamide
CID 115613428
N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dimethoxybenzenesulfonamide
CID 90534852
N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 90598090
N-(2-methylpropyl)-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide
CID 142170744
N-(2-aminobutyl)-4-(trifluoromethyl)benzenesulfonamide
CID 55229724
N-(phenoxymethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 70132879

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide (CID 90598155) is N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide is COc1ccccc1C(CNS(=O)(=O)c1ccc(C(F)(F)F)cc1)OC.
What is the InChIKey of N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is HJKBZNGZTVUMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3NO4S/c1-24-15-6-4-3-5-14(15)16(25-2)11-21-26(22,23)13-9-7-12(8-10-13)17(18,19)20/h3-10,16,21H,11H2,1-2H3.
What are the key properties of N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide?
N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 389.40 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 90598155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).