3,4-dimethyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzenesulfonamide

C17H18F3NO3S — CID 30366037

IUPAC3,4-dimethyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCOc2cccc(C(F)(F)F)c2)cc1C
InChIInChI=1S/C17H18F3NO3S/c1-12-6-7-16(10-13(12)2)25(22,23)21-8-9-24-15-5-3-4-14(11-15)17(18,19)20/h3-7,10-11,21H,8-9H2,1-2H3
InChIKeyNCYWTWCDQPYFRH-UHFFFAOYSA-N
MW373.40 g/mol
LogP3.68
Rot. Bonds6

About 3,4-dimethyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzenesulfonamide

3,4-dimethyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzenesulfonamide (PubChem CID 30366037) has the molecular formula C17H18F3NO3S and a molecular weight of 373.40 g/mol. Its IUPAC name is 3,4-dimethyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzenesulfonamide
PubChem CID30366037
Molecular FormulaC17H18F3NO3S
Molecular Weight373.40 g/mol
Exact Mass373.10
IUPAC Name3,4-dimethyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCOc2cccc(C(F)(F)F)c2)cc1C
InChIInChI=1S/C17H18F3NO3S/c1-12-6-7-16(10-13(12)2)25(22,23)21-8-9-24-15-5-3-4-14(11-15)17(18,19)20/h3-7,10-11,21H,8-9H2,1-2H3
InChIKeyNCYWTWCDQPYFRH-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-4-methoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzenesulfonamide
CID 30867180
N-[2-(3,5-dimethylphenoxy)ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 30867149
4-fluoro-3-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 113099147
2,4-diethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzenesulfonamide
CID 30366154
4-chloro-N-[2-(3-chlorophenoxy)ethyl]-3-methylbenzenesulfonamide
CID 113099484
N-[2-(3-chlorophenoxy)ethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 113099468
4-tert-butyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 113099165
N-[2-(2,3-dimethylphenoxy)ethyl]-3,4-dimethylbenzenesulfonamide
CID 113100958
N-[2-(3-tert-butylphenoxy)ethyl]-4-propan-2-yloxybenzenesulfonamide
CID 113100521
N-[2-(3-tert-butylphenoxy)ethyl]-1,3-benzodioxole-5-sulfonamide
CID 113100503
N-[2-(3,4-difluorophenoxy)ethyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113102526
4-chloro-N-[2-(3-ethylphenoxy)ethyl]-3-methylbenzenesulfonamide
CID 113100064

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzenesulfonamide?
The IUPAC name of 3,4-dimethyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzenesulfonamide (CID 30366037) is 3,4-dimethyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzenesulfonamide?
The canonical SMILES for 3,4-dimethyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCCOc2cccc(C(F)(F)F)c2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzenesulfonamide?
The InChIKey is NCYWTWCDQPYFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3NO3S/c1-12-6-7-16(10-13(12)2)25(22,23)21-8-9-24-15-5-3-4-14(11-15)17(18,19)20/h3-7,10-11,21H,8-9H2,1-2H3.
What are the key properties of 3,4-dimethyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzenesulfonamide?
3,4-dimethyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzenesulfonamide has a molecular weight of 373.40 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzenesulfonamide is sourced from PubChem (CID 30366037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).