N-[4-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]phenyl]ethanesulfonamide

C18H16F3NO3S — CID 56528764

IUPACN-[4-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C18H16F3NO3S/c1-2-26(24,25)22-16-10-6-14(7-11-16)17(23)12-5-13-3-8-15(9-4-13)18(19,20)21/h3-12,22H,2H2,1H3/b12-5+
InChIKeyUHNMJRDLOXYWDM-LFYBBSHMSA-N
MW383.39 g/mol
LogP4.36
Rot. Bonds6

About N-[4-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]phenyl]ethanesulfonamide

N-[4-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]phenyl]ethanesulfonamide (PubChem CID 56528764) has the molecular formula C18H16F3NO3S and a molecular weight of 383.39 g/mol. Its IUPAC name is N-[4-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]phenyl]ethanesulfonamide
PubChem CID56528764
Molecular FormulaC18H16F3NO3S
Molecular Weight383.39 g/mol
Exact Mass383.08
IUPAC NameN-[4-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C18H16F3NO3S/c1-2-26(24,25)22-16-10-6-14(7-11-16)17(23)12-5-13-3-8-15(9-4-13)18(19,20)21/h3-12,22H,2H2,1H3/b12-5+
InChIKeyUHNMJRDLOXYWDM-LFYBBSHMSA-N
XLogP4.36
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.39
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[4-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]phenyl]ethanesulfonamide 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

1-(4-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 2781337
N-[4-[5-(4-chlorophenyl)penta-2,4-dienoyl]phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 171380663
N-[4-[3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]methanesulfonamide
CID 68660252
N-[4-[(E)-3-naphthalen-1-ylprop-2-enoyl]phenyl]ethanesulfonamide
CID 56528892
(E)-1-(4-nitrophenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 6254493
N-[4-[(2E,4E)-4-methyl-5-phenylpenta-2,4-dienoyl]phenyl]ethanesulfonamide
CID 56583223
ethyl (E)-2-oxo-4-[4-(trifluoromethyl)phenyl]but-3-enoate
CID 46217691
N-[4-[(E)-3-(7-chloro-1,3-benzodioxol-5-yl)prop-2-enoyl]phenyl]ethanesulfonamide
CID 56528886
2,2,2-trifluoro-N-[4-[(E)-3-phenylprop-2-enoyl]phenyl]acetamide
CID 163752454
N-[4-[(E)-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-enoyl]phenyl]ethanesulfonamide
CID 56528838
2-[4-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]phenoxy]acetonitrile
CID 6215163
N-[4-[(E)-3-(2-propan-2-yloxyphenyl)prop-2-enoyl]phenyl]ethanesulfonamide
CID 56528877

Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]phenyl]ethanesulfonamide?
The IUPAC name of N-[4-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]phenyl]ethanesulfonamide (CID 56528764) is N-[4-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]phenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]phenyl]ethanesulfonamide?
The canonical SMILES for N-[4-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of N-[4-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]phenyl]ethanesulfonamide?
The InChIKey is UHNMJRDLOXYWDM-LFYBBSHMSA-N. The full InChI is InChI=1S/C18H16F3NO3S/c1-2-26(24,25)22-16-10-6-14(7-11-16)17(23)12-5-13-3-8-15(9-4-13)18(19,20)21/h3-12,22H,2H2,1H3/b12-5+.
What are the key properties of N-[4-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]phenyl]ethanesulfonamide?
N-[4-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]phenyl]ethanesulfonamide has a molecular weight of 383.39 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]phenyl]ethanesulfonamide is sourced from PubChem (CID 56528764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).