4-fluoro-N-(2-phenoxyethyl)-3-(trifluoromethyl)benzenesulfonamide

C15H13F4NO3S — CID 30365653

IUPAC4-fluoro-N-(2-phenoxyethyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCCOc1ccccc1)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C15H13F4NO3S/c16-14-7-6-12(10-13(14)15(17,18)19)24(21,22)20-8-9-23-11-4-2-1-3-5-11/h1-7,10,20H,8-9H2
InChIKeySHWPRHNVPMESOM-UHFFFAOYSA-N
MW363.33 g/mol
LogP3.20
Rot. Bonds6

About 4-fluoro-N-(2-phenoxyethyl)-3-(trifluoromethyl)benzenesulfonamide

4-fluoro-N-(2-phenoxyethyl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 30365653) has the molecular formula C15H13F4NO3S and a molecular weight of 363.33 g/mol. Its IUPAC name is 4-fluoro-N-(2-phenoxyethyl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(2-phenoxyethyl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID30365653
Molecular FormulaC15H13F4NO3S
Molecular Weight363.33 g/mol
Exact Mass363.06
IUPAC Name4-fluoro-N-(2-phenoxyethyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCCOc1ccccc1)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C15H13F4NO3S/c16-14-7-6-12(10-13(14)15(17,18)19)24(21,22)20-8-9-23-11-4-2-1-3-5-11/h1-7,10,20H,8-9H2
InChIKeySHWPRHNVPMESOM-UHFFFAOYSA-N
XLogP3.20
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.33
LogP ≤ 53.20
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

N-[2-(3,4-difluorophenoxy)ethyl]benzenesulfonamide
CID 113102513
3-[(3,4-difluorophenyl)sulfonylamino]-N-(2-phenoxyethyl)propanamide
CID 32934295
phenyl 4-fluoro-3-(trifluoromethyl)benzenesulfonate
CID 52746551
4-fluoro-3-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 113099147
3-fluoro-4-methoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzenesulfonamide
CID 30867180
3,4-dimethyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzenesulfonamide
CID 30366037
4-fluoro-N-[2-(4-fluorophenoxy)ethyl]benzenesulfonamide
CID 3127035
N-(2-phenoxyethyl)-4-propan-2-ylbenzenesulfonamide
CID 3858812
N-[2-(3,4-difluorophenoxy)ethyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113102526
N-[3-(4-fluorophenoxy)propyl]benzenesulfonamide
CID 110288244
N-[2-(4-ethoxyphenoxy)ethyl]-4-phenoxybenzenesulfonamide
CID 30366250
3,4,5-trimethoxy-N-(2-phenoxyethyl)benzenesulfonamide
CID 8990569

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-phenoxyethyl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(2-phenoxyethyl)-3-(trifluoromethyl)benzenesulfonamide (CID 30365653) is 4-fluoro-N-(2-phenoxyethyl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(2-phenoxyethyl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(2-phenoxyethyl)-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NCCOc1ccccc1)c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 4-fluoro-N-(2-phenoxyethyl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is SHWPRHNVPMESOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4NO3S/c16-14-7-6-12(10-13(14)15(17,18)19)24(21,22)20-8-9-23-11-4-2-1-3-5-11/h1-7,10,20H,8-9H2.
What are the key properties of 4-fluoro-N-(2-phenoxyethyl)-3-(trifluoromethyl)benzenesulfonamide?
4-fluoro-N-(2-phenoxyethyl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 363.33 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-phenoxyethyl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 30365653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).