2,3,4-trifluoro-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide

C15H11F6NO2S — CID 3813210

IUPAC2,3,4-trifluoro-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1cccc(C(F)(F)F)c1)c1ccc(F)c(F)c1F
InChIInChI=1S/C15H11F6NO2S/c16-11-4-5-12(14(18)13(11)17)25(23,24)22-7-6-9-2-1-3-10(8-9)15(19,20)21/h1-5,8,22H,6-7H2
InChIKeyQXPKVMOIDCZJDE-UHFFFAOYSA-N
MW383.31 g/mol
LogP3.64
Rot. Bonds5

About 2,3,4-trifluoro-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide

2,3,4-trifluoro-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide (PubChem CID 3813210) has the molecular formula C15H11F6NO2S and a molecular weight of 383.31 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
PubChem CID3813210
Molecular FormulaC15H11F6NO2S
Molecular Weight383.31 g/mol
Exact Mass383.04
IUPAC Name2,3,4-trifluoro-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1cccc(C(F)(F)F)c1)c1ccc(F)c(F)c1F
InChIInChI=1S/C15H11F6NO2S/c16-11-4-5-12(14(18)13(11)17)25(23,24)22-7-6-9-2-1-3-10(8-9)15(19,20)21/h1-5,8,22H,6-7H2
InChIKeyQXPKVMOIDCZJDE-UHFFFAOYSA-N
XLogP3.64
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.31
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
CID 3763853
N-[2-[3-(trifluoromethyl)phenyl]ethyl]methanesulfonamide
CID 5156375
5-(4-chlorophenyl)sulfonyl-2-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
CID 57430119
3-(benzenesulfonyl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
CID 11978172
2,3,4-trifluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 43502000
3-[2-[3-(trifluoromethyl)phenyl]ethylamino]propane-1-sulfonic acid
CID 87844997
N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 23512860
N-(2-tert-butylsulfanylethyl)-2,3,4-trifluorobenzenesulfonamide
CID 3682594
4-fluoro-3-(2-phenylethylsulfamoyl)benzoic acid
CID 3490945
2-[3-(trifluoromethyl)phenyl]ethanesulfonamide
CID 115047089
2,3,4-trifluoro-N-(5-hydroxypentyl)benzenesulfonamide
CID 107319503
2-[3-(trifluoromethyl)phenyl]-N-(trimethylsilylmethyl)ethanamine
CID 67402200

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide?
The IUPAC name of 2,3,4-trifluoro-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide (CID 3813210) is 2,3,4-trifluoro-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide.
What is the SMILES notation for 2,3,4-trifluoro-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide?
The canonical SMILES for 2,3,4-trifluoro-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide is O=S(=O)(NCCc1cccc(C(F)(F)F)c1)c1ccc(F)c(F)c1F.
What is the InChIKey of 2,3,4-trifluoro-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide?
The InChIKey is QXPKVMOIDCZJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F6NO2S/c16-11-4-5-12(14(18)13(11)17)25(23,24)22-7-6-9-2-1-3-10(8-9)15(19,20)21/h1-5,8,22H,6-7H2.
What are the key properties of 2,3,4-trifluoro-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide?
2,3,4-trifluoro-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide has a molecular weight of 383.31 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide is sourced from PubChem (CID 3813210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).