N-[4-[4-[4-[(E)-2-[4-(2,4-dichlorophenyl)-1-ethylimidazol-2-yl]ethenyl]phenyl]phenoxy]phenyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide

C33H23Cl2F6N3O5S2 — CID 58231409

IUPACN-[4-[4-[4-[(E)-2-[4-(2,4-dichlorophenyl)-1-ethylimidazol-2-yl]ethenyl]phenyl]phenoxy]phenyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
SMILESCCn1cc(-c2ccc(Cl)cc2Cl)nc1/C=C/c1ccc(-c2ccc(Oc3ccc(N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)cc3)cc2)cc1
InChIInChI=1S/C33H23Cl2F6N3O5S2/c1-2-43-20-30(28-17-10-24(34)19-29(28)35)42-31(43)18-5-21-3-6-22(7-4-21)23-8-13-26(14-9-23)49-27-15-11-25(12-16-27)44(50(45,46)32(36,37)38)51(47,48)33(39,40)41/h3-20H,2H2,1H3/b18-5+
InChIKeyOPNJAFSFAHZSOB-BLLMUTORSA-N
MW790.59 g/mol
LogP10.01
Rot. Bonds10

About N-[4-[4-[4-[(E)-2-[4-(2,4-dichlorophenyl)-1-ethylimidazol-2-yl]ethenyl]phenyl]phenoxy]phenyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide

N-[4-[4-[4-[(E)-2-[4-(2,4-dichlorophenyl)-1-ethylimidazol-2-yl]ethenyl]phenyl]phenoxy]phenyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide (PubChem CID 58231409) has the molecular formula C33H23Cl2F6N3O5S2 and a molecular weight of 790.59 g/mol. Its IUPAC name is N-[4-[4-[4-[(E)-2-[4-(2,4-dichlorophenyl)-1-ethylimidazol-2-yl]ethenyl]phenyl]phenoxy]phenyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide.

Molecular Properties

Compound NameN-[4-[4-[4-[(E)-2-[4-(2,4-dichlorophenyl)-1-ethylimidazol-2-yl]ethenyl]phenyl]phenoxy]phenyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
PubChem CID58231409
Molecular FormulaC33H23Cl2F6N3O5S2
Molecular Weight790.59 g/mol
Exact Mass789.04
IUPAC NameN-[4-[4-[4-[(E)-2-[4-(2,4-dichlorophenyl)-1-ethylimidazol-2-yl]ethenyl]phenyl]phenoxy]phenyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
SMILESCCn1cc(-c2ccc(Cl)cc2Cl)nc1/C=C/c1ccc(-c2ccc(Oc3ccc(N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)cc3)cc2)cc1
InChIInChI=1S/C33H23Cl2F6N3O5S2/c1-2-43-20-30(28-17-10-24(34)19-29(28)35)42-31(43)18-5-21-3-6-22(7-4-21)23-8-13-26(14-9-23)49-27-15-11-25(12-16-27)44(50(45,46)32(36,37)38)51(47,48)33(39,40)41/h3-20H,2H2,1H3/b18-5+
InChIKeyOPNJAFSFAHZSOB-BLLMUTORSA-N
XLogP10.01
TPSA98.57 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500790.59
LogP ≤ 510.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[4-[4-[4-[(E)-2-[4-(2,4-dichlorophenyl)-1-ethylimidazol-2-yl]ethenyl]phenyl]phenoxy]phenyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[4-[(E)-2-[4-(2,4-dichlorophenyl)-1-ethylimidazol-2-yl]ethenyl]phenyl]phenoxy]phenyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
The IUPAC name of N-[4-[4-[4-[(E)-2-[4-(2,4-dichlorophenyl)-1-ethylimidazol-2-yl]ethenyl]phenyl]phenoxy]phenyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide (CID 58231409) is N-[4-[4-[4-[(E)-2-[4-(2,4-dichlorophenyl)-1-ethylimidazol-2-yl]ethenyl]phenyl]phenoxy]phenyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide.
What is the SMILES notation for N-[4-[4-[4-[(E)-2-[4-(2,4-dichlorophenyl)-1-ethylimidazol-2-yl]ethenyl]phenyl]phenoxy]phenyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
The canonical SMILES for N-[4-[4-[4-[(E)-2-[4-(2,4-dichlorophenyl)-1-ethylimidazol-2-yl]ethenyl]phenyl]phenoxy]phenyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide is CCn1cc(-c2ccc(Cl)cc2Cl)nc1/C=C/c1ccc(-c2ccc(Oc3ccc(N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)cc3)cc2)cc1.
What is the InChIKey of N-[4-[4-[4-[(E)-2-[4-(2,4-dichlorophenyl)-1-ethylimidazol-2-yl]ethenyl]phenyl]phenoxy]phenyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
The InChIKey is OPNJAFSFAHZSOB-BLLMUTORSA-N. The full InChI is InChI=1S/C33H23Cl2F6N3O5S2/c1-2-43-20-30(28-17-10-24(34)19-29(28)35)42-31(43)18-5-21-3-6-22(7-4-21)23-8-13-26(14-9-23)49-27-15-11-25(12-16-27)44(50(45,46)32(36,37)38)51(47,48)33(39,40)41/h3-20H,2H2,1H3/b18-5+.
What are the key properties of N-[4-[4-[4-[(E)-2-[4-(2,4-dichlorophenyl)-1-ethylimidazol-2-yl]ethenyl]phenyl]phenoxy]phenyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide?
N-[4-[4-[4-[(E)-2-[4-(2,4-dichlorophenyl)-1-ethylimidazol-2-yl]ethenyl]phenyl]phenoxy]phenyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide has a molecular weight of 790.59 g/mol, XLogP of 10.01, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[4-[(E)-2-[4-(2,4-dichlorophenyl)-1-ethylimidazol-2-yl]ethenyl]phenyl]phenoxy]phenyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide is sourced from PubChem (CID 58231409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).