4-methyl-N-[2-phenyl-3-(trifluoromethyl)but-3-enyl]benzenesulfonamide

C18H18F3NO2S — CID 162540052

IUPAC4-methyl-N-[2-phenyl-3-(trifluoromethyl)but-3-enyl]benzenesulfonamide
SMILESC=C(C(CNS(=O)(=O)c1ccc(C)cc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C18H18F3NO2S/c1-13-8-10-16(11-9-13)25(23,24)22-12-17(14(2)18(19,20)21)15-6-4-3-5-7-15/h3-11,17,22H,2,12H2,1H3
InChIKeyLPZVZRQYRLGPLI-UHFFFAOYSA-N
MW369.41 g/mol
LogP4.18
Rot. Bonds6

About 4-methyl-N-[2-phenyl-3-(trifluoromethyl)but-3-enyl]benzenesulfonamide

4-methyl-N-[2-phenyl-3-(trifluoromethyl)but-3-enyl]benzenesulfonamide (PubChem CID 162540052) has the molecular formula C18H18F3NO2S and a molecular weight of 369.41 g/mol. Its IUPAC name is 4-methyl-N-[2-phenyl-3-(trifluoromethyl)but-3-enyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[2-phenyl-3-(trifluoromethyl)but-3-enyl]benzenesulfonamide
PubChem CID162540052
Molecular FormulaC18H18F3NO2S
Molecular Weight369.41 g/mol
Exact Mass369.10
IUPAC Name4-methyl-N-[2-phenyl-3-(trifluoromethyl)but-3-enyl]benzenesulfonamide
SMILESC=C(C(CNS(=O)(=O)c1ccc(C)cc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C18H18F3NO2S/c1-13-8-10-16(11-9-13)25(23,24)22-12-17(14(2)18(19,20)21)15-6-4-3-5-7-15/h3-11,17,22H,2,12H2,1H3
InChIKeyLPZVZRQYRLGPLI-UHFFFAOYSA-N
XLogP4.18
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.41
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-2-phenylethyl)-4-methylbenzenesulfonamide
CID 11220593
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-methylbenzenesulfonamide
CID 975376
N-[2-(4-tert-butylphenyl)-2-phenylethyl]-4-methylbenzenesulfonamide
CID 163217184
4-methyl-N-(2-phenyl-2-phenylselanylethyl)benzenesulfonamide
CID 86197769
N-(2-fluoroprop-2-enyl)-4-methylbenzenesulfonamide
CID 16723470
4-methyl-N-(2-phenyl-2-piperidin-1-ylethyl)benzenesulfonamide
CID 2784014
N-(2,3-dimethyl-2-phenylbut-3-enyl)-4-methylbenzenesulfonamide
CID 10065175
N-(2-bromo-2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 141352763
4-methyl-N-[(2S)-2-(2-methylphenoxy)-2-phenylethyl]benzenesulfonamide
CID 57408238
N-(2-hydroxy-2-phenylethyl)-4-phenylbenzenesulfonamide
CID 3731751
benzhydryl 2-[(4-methylphenyl)sulfonylamino]acetate
CID 4043289
N-(3-chloro-1-phenylbut-3-enyl)-4-methylbenzenesulfonamide
CID 101424945

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-phenyl-3-(trifluoromethyl)but-3-enyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[2-phenyl-3-(trifluoromethyl)but-3-enyl]benzenesulfonamide (CID 162540052) is 4-methyl-N-[2-phenyl-3-(trifluoromethyl)but-3-enyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[2-phenyl-3-(trifluoromethyl)but-3-enyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[2-phenyl-3-(trifluoromethyl)but-3-enyl]benzenesulfonamide is C=C(C(CNS(=O)(=O)c1ccc(C)cc1)c1ccccc1)C(F)(F)F.
What is the InChIKey of 4-methyl-N-[2-phenyl-3-(trifluoromethyl)but-3-enyl]benzenesulfonamide?
The InChIKey is LPZVZRQYRLGPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO2S/c1-13-8-10-16(11-9-13)25(23,24)22-12-17(14(2)18(19,20)21)15-6-4-3-5-7-15/h3-11,17,22H,2,12H2,1H3.
What are the key properties of 4-methyl-N-[2-phenyl-3-(trifluoromethyl)but-3-enyl]benzenesulfonamide?
4-methyl-N-[2-phenyl-3-(trifluoromethyl)but-3-enyl]benzenesulfonamide has a molecular weight of 369.41 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-phenyl-3-(trifluoromethyl)but-3-enyl]benzenesulfonamide is sourced from PubChem (CID 162540052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).