4-methyl-N-[(E)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]benzenesulfonamide

C17H16F3NO2S — CID 11152440

IUPAC4-methyl-N-[(E)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(/C=C/c2ccccc2)C(F)(F)F)cc1
InChIInChI=1S/C17H16F3NO2S/c1-13-7-10-15(11-8-13)24(22,23)21-16(17(18,19)20)12-9-14-5-3-2-4-6-14/h2-12,16,21H,1H3/b12-9+
InChIKeyAUXQQZLPBIIUAB-FMIVXFBMSA-N
MW355.38 g/mol
LogP3.92
Rot. Bonds5

About 4-methyl-N-[(E)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]benzenesulfonamide

4-methyl-N-[(E)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]benzenesulfonamide (PubChem CID 11152440) has the molecular formula C17H16F3NO2S and a molecular weight of 355.38 g/mol. Its IUPAC name is 4-methyl-N-[(E)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(E)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]benzenesulfonamide
PubChem CID11152440
Molecular FormulaC17H16F3NO2S
Molecular Weight355.38 g/mol
Exact Mass355.09
IUPAC Name4-methyl-N-[(E)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(/C=C/c2ccccc2)C(F)(F)F)cc1
InChIInChI=1S/C17H16F3NO2S/c1-13-7-10-15(11-8-13)24(22,23)21-16(17(18,19)20)12-9-14-5-3-2-4-6-14/h2-12,16,21H,1H3/b12-9+
InChIKeyAUXQQZLPBIIUAB-FMIVXFBMSA-N
XLogP3.92
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.38
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-[(E)-1-phenylhex-1-en-3-yl]benzenesulfonamide
CID 102233869
(E,3S)-3-[(4-methylphenyl)sulfonylamino]-5-phenylpent-4-enoic acid
CID 101455223
N-[(Z,1R)-1,4-diphenylbut-3-enyl]-4-methylbenzenesulfonamide
CID 11696524
4-methyl-N-[(E,2R,3S)-1,1,1-trifluoro-5-(4-fluorophenyl)-3-(4-methylanilino)pent-4-en-2-yl]benzenesulfonamide
CID 177474164
N-[2-[(E)-1-hydroxy-3-phenylprop-2-enyl]phenyl]-4-methylbenzenesulfonamide
CID 102344906
N-[(E,3S)-5-[tert-butyl(diphenyl)silyl]oxy-1-phenylpent-1-en-3-yl]-4-methylbenzenesulfonamide
CID 101455227
4-methyl-N-(1,1,1-trifluoro-3,3-dimethylbutan-2-yl)benzenesulfonamide
CID 102415815
4-methyl-N'-[(E)-2-phenylethenyl]sulfonylbenzenesulfonohydrazide
CID 8500656
N-[(E)-1-hydroxy-2-methyl-3-phenylprop-2-enyl]-4-methylbenzenesulfonamide
CID 135033918
4-methyl-N-[(2R,3S)-1,1,1-trifluoro-3-phenylsulfanylbutan-2-yl]benzenesulfonamide
CID 135029593
4-methyl-N-[(4-methylphenyl)-(4-phenylphenyl)methyl]benzenesulfonamide
CID 134927453
4-methyl-N-[(R)-(4-methylphenyl)-(4-phenylphenyl)methyl]benzenesulfonamide
CID 102072204

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(E)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(E)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]benzenesulfonamide (CID 11152440) is 4-methyl-N-[(E)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(E)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(E)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NC(/C=C/c2ccccc2)C(F)(F)F)cc1.
What is the InChIKey of 4-methyl-N-[(E)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]benzenesulfonamide?
The InChIKey is AUXQQZLPBIIUAB-FMIVXFBMSA-N. The full InChI is InChI=1S/C17H16F3NO2S/c1-13-7-10-15(11-8-13)24(22,23)21-16(17(18,19)20)12-9-14-5-3-2-4-6-14/h2-12,16,21H,1H3/b12-9+.
What are the key properties of 4-methyl-N-[(E)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]benzenesulfonamide?
4-methyl-N-[(E)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]benzenesulfonamide has a molecular weight of 355.38 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(E)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]benzenesulfonamide is sourced from PubChem (CID 11152440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).