4-ethyl-N-[(3,4,5-trifluorophenyl)methyl]benzenesulfonamide

C15H14F3NO2S — CID 25046521

IUPAC4-ethyl-N-[(3,4,5-trifluorophenyl)methyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCc2cc(F)c(F)c(F)c2)cc1
InChIInChI=1S/C15H14F3NO2S/c1-2-10-3-5-12(6-4-10)22(20,21)19-9-11-7-13(16)15(18)14(17)8-11/h3-8,19H,2,9H2,1H3
InChIKeyISLCKCDASJCTKA-UHFFFAOYSA-N
MW329.34 g/mol
LogP3.14
Rot. Bonds5

About 4-ethyl-N-[(3,4,5-trifluorophenyl)methyl]benzenesulfonamide

4-ethyl-N-[(3,4,5-trifluorophenyl)methyl]benzenesulfonamide (PubChem CID 25046521) has the molecular formula C15H14F3NO2S and a molecular weight of 329.34 g/mol. Its IUPAC name is 4-ethyl-N-[(3,4,5-trifluorophenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-[(3,4,5-trifluorophenyl)methyl]benzenesulfonamide
PubChem CID25046521
Molecular FormulaC15H14F3NO2S
Molecular Weight329.34 g/mol
Exact Mass329.07
IUPAC Name4-ethyl-N-[(3,4,5-trifluorophenyl)methyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCc2cc(F)c(F)c(F)c2)cc1
InChIInChI=1S/C15H14F3NO2S/c1-2-10-3-5-12(6-4-10)22(20,21)19-9-11-7-13(16)15(18)14(17)8-11/h3-8,19H,2,9H2,1H3
InChIKeyISLCKCDASJCTKA-UHFFFAOYSA-N
XLogP3.14
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.34
LogP ≤ 53.14
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

4-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]benzenesulfonamide
CID 110780034
4-(bromomethyl)-N-[(4-ethylphenyl)methyl]benzenesulfonamide
CID 106900636
N-[(4-ethylphenyl)methyl]-4-hydrazinylbenzenesulfonamide
CID 106900182
2,3,4,5,6-pentafluoro-N-[(3,4,5-trifluorophenyl)methyl]benzenesulfonamide
CID 4994552
3,5-bis(trifluoromethyl)-N-[(3,4,5-trifluorophenyl)methyl]benzenesulfonamide
CID 3471758
N-(2-aminoethyl)-4-ethylbenzenesulfonamide
CID 28753957
4-chloro-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide
CID 18131225
N-(1,3-benzodioxol-5-ylmethyl)-4-ethylbenzenesulfonamide
CID 3751192
4-[(tert-butylamino)methyl]-N-[(3,4-difluorophenyl)methyl]benzenesulfonamide
CID 59768398
4-(ethylaminomethyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 28715741
3-cyano-N-[(3,4,5-trifluorophenyl)methyl]benzenesulfonamide
CID 3292896
N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-methylbenzenesulfonamide
CID 3770733

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(3,4,5-trifluorophenyl)methyl]benzenesulfonamide?
The IUPAC name of 4-ethyl-N-[(3,4,5-trifluorophenyl)methyl]benzenesulfonamide (CID 25046521) is 4-ethyl-N-[(3,4,5-trifluorophenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-[(3,4,5-trifluorophenyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-[(3,4,5-trifluorophenyl)methyl]benzenesulfonamide is CCc1ccc(S(=O)(=O)NCc2cc(F)c(F)c(F)c2)cc1.
What is the InChIKey of 4-ethyl-N-[(3,4,5-trifluorophenyl)methyl]benzenesulfonamide?
The InChIKey is ISLCKCDASJCTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO2S/c1-2-10-3-5-12(6-4-10)22(20,21)19-9-11-7-13(16)15(18)14(17)8-11/h3-8,19H,2,9H2,1H3.
What are the key properties of 4-ethyl-N-[(3,4,5-trifluorophenyl)methyl]benzenesulfonamide?
4-ethyl-N-[(3,4,5-trifluorophenyl)methyl]benzenesulfonamide has a molecular weight of 329.34 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(3,4,5-trifluorophenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 25046521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).