2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]sulfonylimidazole-4-carboxamide

C23H14Cl2F3N3O3S — CID 22285489

IUPAC2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]sulfonylimidazole-4-carboxamide
SMILESO=C(NS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1cn(-c2ccc(Cl)cc2)c(-c2ccccc2Cl)n1
InChIInChI=1S/C23H14Cl2F3N3O3S/c24-15-7-9-16(10-8-15)31-13-20(29-21(31)18-3-1-2-4-19(18)25)22(32)30-35(33,34)17-11-5-14(6-12-17)23(26,27)28/h1-13H,(H,30,32)
InChIKeyGUOGKWHMPGLRDM-UHFFFAOYSA-N
MW540.35 g/mol
LogP5.98
Rot. Bonds5

About 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]sulfonylimidazole-4-carboxamide

2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]sulfonylimidazole-4-carboxamide (PubChem CID 22285489) has the molecular formula C23H14Cl2F3N3O3S and a molecular weight of 540.35 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]sulfonylimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]sulfonylimidazole-4-carboxamide
PubChem CID22285489
Molecular FormulaC23H14Cl2F3N3O3S
Molecular Weight540.35 g/mol
Exact Mass539.01
IUPAC Name2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]sulfonylimidazole-4-carboxamide
SMILESO=C(NS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1cn(-c2ccc(Cl)cc2)c(-c2ccccc2Cl)n1
InChIInChI=1S/C23H14Cl2F3N3O3S/c24-15-7-9-16(10-8-15)31-13-20(29-21(31)18-3-1-2-4-19(18)25)22(32)30-35(33,34)17-11-5-14(6-12-17)23(26,27)28/h1-13H,(H,30,32)
InChIKeyGUOGKWHMPGLRDM-UHFFFAOYSA-N
XLogP5.98
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.35
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]sulfonylimidazole-4-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]sulfonylimidazole-4-carboxamide (CID 22285489) is 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]sulfonylimidazole-4-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]sulfonylimidazole-4-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]sulfonylimidazole-4-carboxamide is O=C(NS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1cn(-c2ccc(Cl)cc2)c(-c2ccccc2Cl)n1.
What is the InChIKey of 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]sulfonylimidazole-4-carboxamide?
The InChIKey is GUOGKWHMPGLRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14Cl2F3N3O3S/c24-15-7-9-16(10-8-15)31-13-20(29-21(31)18-3-1-2-4-19(18)25)22(32)30-35(33,34)17-11-5-14(6-12-17)23(26,27)28/h1-13H,(H,30,32).
What are the key properties of 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]sulfonylimidazole-4-carboxamide?
2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]sulfonylimidazole-4-carboxamide has a molecular weight of 540.35 g/mol, XLogP of 5.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]sulfonylimidazole-4-carboxamide is sourced from PubChem (CID 22285489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).