5-methyl-2-[2-[4-(trifluoromethyl)phenyl]ethenylsulfonylamino]benzenesulfonamide

C16H15F3N2O4S2 — CID 68780541

IUPAC5-methyl-2-[2-[4-(trifluoromethyl)phenyl]ethenylsulfonylamino]benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)C=Cc2ccc(C(F)(F)F)cc2)c(S(N)(=O)=O)c1
InChIInChI=1S/C16H15F3N2O4S2/c1-11-2-7-14(15(10-11)27(20,24)25)21-26(22,23)9-8-12-3-5-13(6-4-12)16(17,18)19/h2-10,21H,1H3,(H2,20,24,25)
InChIKeyRUICTWDYCKTARZ-UHFFFAOYSA-N
MW420.43 g/mol
LogP3.07
Rot. Bonds5

About 5-methyl-2-[2-[4-(trifluoromethyl)phenyl]ethenylsulfonylamino]benzenesulfonamide

5-methyl-2-[2-[4-(trifluoromethyl)phenyl]ethenylsulfonylamino]benzenesulfonamide (PubChem CID 68780541) has the molecular formula C16H15F3N2O4S2 and a molecular weight of 420.43 g/mol. Its IUPAC name is 5-methyl-2-[2-[4-(trifluoromethyl)phenyl]ethenylsulfonylamino]benzenesulfonamide.

Molecular Properties

Compound Name5-methyl-2-[2-[4-(trifluoromethyl)phenyl]ethenylsulfonylamino]benzenesulfonamide
PubChem CID68780541
Molecular FormulaC16H15F3N2O4S2
Molecular Weight420.43 g/mol
Exact Mass420.04
IUPAC Name5-methyl-2-[2-[4-(trifluoromethyl)phenyl]ethenylsulfonylamino]benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)C=Cc2ccc(C(F)(F)F)cc2)c(S(N)(=O)=O)c1
InChIInChI=1S/C16H15F3N2O4S2/c1-11-2-7-14(15(10-11)27(20,24)25)21-26(22,23)9-8-12-3-5-13(6-4-12)16(17,18)19/h2-10,21H,1H3,(H2,20,24,25)
InChIKeyRUICTWDYCKTARZ-UHFFFAOYSA-N
XLogP3.07
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.43
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-methyl-2-[2-[4-(trifluoromethyl)phenyl]ethenylsulfonylamino]benzenesulfonamide 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

5-methyl-2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]benzoic acid
CID 51125949
2-[[(E)-2-[4-(difluoromethoxy)phenyl]ethenyl]sulfonylamino]-5-fluorobenzenesulfonamide
CID 42646759
(E)-N-(2-chloro-4-fluorophenyl)-2-(4-methylphenyl)ethenesulfonamide
CID 60533207
(E)-2-phenyl-N-[4-(trifluoromethyl)phenyl]ethenesulfonamide
CID 26970285
5-fluoro-2-[[(E)-2-[4-(furan-2-yl)phenyl]ethenyl]sulfonylamino]benzenesulfonamide
CID 42646502
N-(2-fluorophenyl)-2-(4-methylphenyl)ethenesulfonamide
CID 47148674
2,4-dimethylbenzamide;2-[4-(trifluoromethyl)phenyl]ethenesulfonic acid
CID 174549666
2-[[(E)-2-(4-bromophenyl)ethenyl]sulfonylamino]-4-fluorobenzenesulfonamide
CID 42644607
3-fluoro-2-[[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]sulfonylamino]benzenesulfonamide
CID 42643641
4-[2-(4-chlorophenyl)ethenylsulfonylamino]-3-fluorobenzenesulfonamide
CID 76869846
(E)-N-(3-fluoro-2-methylphenyl)-2-(4-methylphenyl)ethenesulfonamide
CID 90481130
3-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-4-methylbenzenesulfonamide
CID 90481162

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[2-[4-(trifluoromethyl)phenyl]ethenylsulfonylamino]benzenesulfonamide?
The IUPAC name of 5-methyl-2-[2-[4-(trifluoromethyl)phenyl]ethenylsulfonylamino]benzenesulfonamide (CID 68780541) is 5-methyl-2-[2-[4-(trifluoromethyl)phenyl]ethenylsulfonylamino]benzenesulfonamide.
What is the SMILES notation for 5-methyl-2-[2-[4-(trifluoromethyl)phenyl]ethenylsulfonylamino]benzenesulfonamide?
The canonical SMILES for 5-methyl-2-[2-[4-(trifluoromethyl)phenyl]ethenylsulfonylamino]benzenesulfonamide is Cc1ccc(NS(=O)(=O)C=Cc2ccc(C(F)(F)F)cc2)c(S(N)(=O)=O)c1.
What is the InChIKey of 5-methyl-2-[2-[4-(trifluoromethyl)phenyl]ethenylsulfonylamino]benzenesulfonamide?
The InChIKey is RUICTWDYCKTARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O4S2/c1-11-2-7-14(15(10-11)27(20,24)25)21-26(22,23)9-8-12-3-5-13(6-4-12)16(17,18)19/h2-10,21H,1H3,(H2,20,24,25).
What are the key properties of 5-methyl-2-[2-[4-(trifluoromethyl)phenyl]ethenylsulfonylamino]benzenesulfonamide?
5-methyl-2-[2-[4-(trifluoromethyl)phenyl]ethenylsulfonylamino]benzenesulfonamide has a molecular weight of 420.43 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[2-[4-(trifluoromethyl)phenyl]ethenylsulfonylamino]benzenesulfonamide is sourced from PubChem (CID 68780541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).