(E)-2-phenyl-N-[4-[[3-(trifluoromethyl)anilino]carbamoyl]phenyl]ethenesulfonamide

C22H18F3N3O3S — CID 55560499

IUPAC(E)-2-phenyl-N-[4-[[3-(trifluoromethyl)anilino]carbamoyl]phenyl]ethenesulfonamide
SMILESO=C(NNc1cccc(C(F)(F)F)c1)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C22H18F3N3O3S/c23-22(24,25)18-7-4-8-20(15-18)26-27-21(29)17-9-11-19(12-10-17)28-32(30,31)14-13-16-5-2-1-3-6-16/h1-15,26,28H,(H,27,29)/b14-13+
InChIKeyMDYAIJBQHMPGNF-BUHFOSPRSA-N
MW461.47 g/mol
LogP4.87
Rot. Bonds7

About (E)-2-phenyl-N-[4-[[3-(trifluoromethyl)anilino]carbamoyl]phenyl]ethenesulfonamide

(E)-2-phenyl-N-[4-[[3-(trifluoromethyl)anilino]carbamoyl]phenyl]ethenesulfonamide (PubChem CID 55560499) has the molecular formula C22H18F3N3O3S and a molecular weight of 461.47 g/mol. Its IUPAC name is (E)-2-phenyl-N-[4-[[3-(trifluoromethyl)anilino]carbamoyl]phenyl]ethenesulfonamide.

Molecular Properties

Compound Name(E)-2-phenyl-N-[4-[[3-(trifluoromethyl)anilino]carbamoyl]phenyl]ethenesulfonamide
PubChem CID55560499
Molecular FormulaC22H18F3N3O3S
Molecular Weight461.47 g/mol
Exact Mass461.10
IUPAC Name(E)-2-phenyl-N-[4-[[3-(trifluoromethyl)anilino]carbamoyl]phenyl]ethenesulfonamide
SMILESO=C(NNc1cccc(C(F)(F)F)c1)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C22H18F3N3O3S/c23-22(24,25)18-7-4-8-20(15-18)26-27-21(29)17-9-11-19(12-10-17)28-32(30,31)14-13-16-5-2-1-3-6-16/h1-15,26,28H,(H,27,29)/b14-13+
InChIKeyMDYAIJBQHMPGNF-BUHFOSPRSA-N
XLogP4.87
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.47
LogP ≤ 54.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-2-phenyl-N-[4-[[3-(trifluoromethyl)anilino]carbamoyl]phenyl]ethenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-2-phenyl-N-[4-(trifluoromethyl)phenyl]ethenesulfonamide
CID 26970285
4-[[(E)-2-phenylethenyl]sulfonylamino]-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]benzamide
CID 31872227
1-phenyl-3-[[4-[[(E)-2-phenylethenyl]sulfonylamino]benzoyl]amino]thiourea
CID 24644076
(E)-N-[4-[(1,3-benzodioxole-5-carbonylamino)carbamoyl]phenyl]-2-phenylethenesulfonamide
CID 6215450
4-phenylmethoxy-N'-[3-(trifluoromethyl)phenyl]benzohydrazide
CID 55343538
N-(3-ethylphenyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 27256502
N-[3-(dimethylsulfamoyl)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 6218294
(E)-N-[4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]carbamoyl]phenyl]-2-phenylethenesulfonamide
CID 55350825
4-[[(E)-2-phenylethenyl]sulfonylamino]-N-[(1S)-1-phenylethyl]benzamide
CID 9315088
4-(2,2,2-trifluoroethoxymethyl)-N'-[3-(trifluoromethyl)phenyl]benzohydrazide
CID 55489667
N-(2-methylphenyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 9341925
(E)-N-[2-oxo-2-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]ethyl]-3-phenylprop-2-enamide
CID 56519511

Frequently Asked Questions

What is the IUPAC name of (E)-2-phenyl-N-[4-[[3-(trifluoromethyl)anilino]carbamoyl]phenyl]ethenesulfonamide?
The IUPAC name of (E)-2-phenyl-N-[4-[[3-(trifluoromethyl)anilino]carbamoyl]phenyl]ethenesulfonamide (CID 55560499) is (E)-2-phenyl-N-[4-[[3-(trifluoromethyl)anilino]carbamoyl]phenyl]ethenesulfonamide.
What is the SMILES notation for (E)-2-phenyl-N-[4-[[3-(trifluoromethyl)anilino]carbamoyl]phenyl]ethenesulfonamide?
The canonical SMILES for (E)-2-phenyl-N-[4-[[3-(trifluoromethyl)anilino]carbamoyl]phenyl]ethenesulfonamide is O=C(NNc1cccc(C(F)(F)F)c1)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1.
What is the InChIKey of (E)-2-phenyl-N-[4-[[3-(trifluoromethyl)anilino]carbamoyl]phenyl]ethenesulfonamide?
The InChIKey is MDYAIJBQHMPGNF-BUHFOSPRSA-N. The full InChI is InChI=1S/C22H18F3N3O3S/c23-22(24,25)18-7-4-8-20(15-18)26-27-21(29)17-9-11-19(12-10-17)28-32(30,31)14-13-16-5-2-1-3-6-16/h1-15,26,28H,(H,27,29)/b14-13+.
What are the key properties of (E)-2-phenyl-N-[4-[[3-(trifluoromethyl)anilino]carbamoyl]phenyl]ethenesulfonamide?
(E)-2-phenyl-N-[4-[[3-(trifluoromethyl)anilino]carbamoyl]phenyl]ethenesulfonamide has a molecular weight of 461.47 g/mol, XLogP of 4.87, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-phenyl-N-[4-[[3-(trifluoromethyl)anilino]carbamoyl]phenyl]ethenesulfonamide is sourced from PubChem (CID 55560499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).