N-[2-(2-methoxyphenoxy)ethyl]-2-(trifluoromethyl)benzenesulfonamide

C16H16F3NO4S — CID 2440705

IUPACN-[2-(2-methoxyphenoxy)ethyl]-2-(trifluoromethyl)benzenesulfonamide
SMILESCOc1ccccc1OCCNS(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H16F3NO4S/c1-23-13-7-3-4-8-14(13)24-11-10-20-25(21,22)15-9-5-2-6-12(15)16(17,18)19/h2-9,20H,10-11H2,1H3
InChIKeySJXJHQXJVRZFKB-UHFFFAOYSA-N
MW375.37 g/mol
LogP3.07
Rot. Bonds7

About N-[2-(2-methoxyphenoxy)ethyl]-2-(trifluoromethyl)benzenesulfonamide

N-[2-(2-methoxyphenoxy)ethyl]-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 2440705) has the molecular formula C16H16F3NO4S and a molecular weight of 375.37 g/mol. Its IUPAC name is N-[2-(2-methoxyphenoxy)ethyl]-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenoxy)ethyl]-2-(trifluoromethyl)benzenesulfonamide
PubChem CID2440705
Molecular FormulaC16H16F3NO4S
Molecular Weight375.37 g/mol
Exact Mass375.08
IUPAC NameN-[2-(2-methoxyphenoxy)ethyl]-2-(trifluoromethyl)benzenesulfonamide
SMILESCOc1ccccc1OCCNS(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H16F3NO4S/c1-23-13-7-3-4-8-14(13)24-11-10-20-25(21,22)15-9-5-2-6-12(15)16(17,18)19/h2-9,20H,10-11H2,1H3
InChIKeySJXJHQXJVRZFKB-UHFFFAOYSA-N
XLogP3.07
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenoxy)ethyl]-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[2-(2-methoxyphenoxy)ethyl]-2-(trifluoromethyl)benzenesulfonamide (CID 2440705) is N-[2-(2-methoxyphenoxy)ethyl]-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[2-(2-methoxyphenoxy)ethyl]-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[2-(2-methoxyphenoxy)ethyl]-2-(trifluoromethyl)benzenesulfonamide is COc1ccccc1OCCNS(=O)(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[2-(2-methoxyphenoxy)ethyl]-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is SJXJHQXJVRZFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO4S/c1-23-13-7-3-4-8-14(13)24-11-10-20-25(21,22)15-9-5-2-6-12(15)16(17,18)19/h2-9,20H,10-11H2,1H3.
What are the key properties of N-[2-(2-methoxyphenoxy)ethyl]-2-(trifluoromethyl)benzenesulfonamide?
N-[2-(2-methoxyphenoxy)ethyl]-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 375.37 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenoxy)ethyl]-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 2440705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).