2-[4-(4-chlorophenyl)-1-phenylimidazol-2-yl]sulfonyl-N-(2,4-difluorophenyl)acetamide

C23H16ClF2N3O3S — CID 15987993

IUPAC2-[4-(4-chlorophenyl)-1-phenylimidazol-2-yl]sulfonyl-N-(2,4-difluorophenyl)acetamide
SMILESO=C(CS(=O)(=O)c1nc(-c2ccc(Cl)cc2)cn1-c1ccccc1)Nc1ccc(F)cc1F
InChIInChI=1S/C23H16ClF2N3O3S/c24-16-8-6-15(7-9-16)21-13-29(18-4-2-1-3-5-18)23(28-21)33(31,32)14-22(30)27-20-11-10-17(25)12-19(20)26/h1-13H,14H2,(H,27,30)
InChIKeyKMXLZSWLUMIHLG-UHFFFAOYSA-N
MW487.92 g/mol
LogP4.88
Rot. Bonds6

About 2-[4-(4-chlorophenyl)-1-phenylimidazol-2-yl]sulfonyl-N-(2,4-difluorophenyl)acetamide

2-[4-(4-chlorophenyl)-1-phenylimidazol-2-yl]sulfonyl-N-(2,4-difluorophenyl)acetamide (PubChem CID 15987993) has the molecular formula C23H16ClF2N3O3S and a molecular weight of 487.92 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-1-phenylimidazol-2-yl]sulfonyl-N-(2,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-1-phenylimidazol-2-yl]sulfonyl-N-(2,4-difluorophenyl)acetamide
PubChem CID15987993
Molecular FormulaC23H16ClF2N3O3S
Molecular Weight487.92 g/mol
Exact Mass487.06
IUPAC Name2-[4-(4-chlorophenyl)-1-phenylimidazol-2-yl]sulfonyl-N-(2,4-difluorophenyl)acetamide
SMILESO=C(CS(=O)(=O)c1nc(-c2ccc(Cl)cc2)cn1-c1ccccc1)Nc1ccc(F)cc1F
InChIInChI=1S/C23H16ClF2N3O3S/c24-16-8-6-15(7-9-16)21-13-29(18-4-2-1-3-5-18)23(28-21)33(31,32)14-22(30)27-20-11-10-17(25)12-19(20)26/h1-13H,14H2,(H,27,30)
InChIKeyKMXLZSWLUMIHLG-UHFFFAOYSA-N
XLogP4.88
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.92
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)-1-phenylimidazol-2-yl]sulfonyl-N-(2,4-difluorophenyl)acetamide?
The IUPAC name of 2-[4-(4-chlorophenyl)-1-phenylimidazol-2-yl]sulfonyl-N-(2,4-difluorophenyl)acetamide (CID 15987993) is 2-[4-(4-chlorophenyl)-1-phenylimidazol-2-yl]sulfonyl-N-(2,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-1-phenylimidazol-2-yl]sulfonyl-N-(2,4-difluorophenyl)acetamide?
The canonical SMILES for 2-[4-(4-chlorophenyl)-1-phenylimidazol-2-yl]sulfonyl-N-(2,4-difluorophenyl)acetamide is O=C(CS(=O)(=O)c1nc(-c2ccc(Cl)cc2)cn1-c1ccccc1)Nc1ccc(F)cc1F.
What is the InChIKey of 2-[4-(4-chlorophenyl)-1-phenylimidazol-2-yl]sulfonyl-N-(2,4-difluorophenyl)acetamide?
The InChIKey is KMXLZSWLUMIHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClF2N3O3S/c24-16-8-6-15(7-9-16)21-13-29(18-4-2-1-3-5-18)23(28-21)33(31,32)14-22(30)27-20-11-10-17(25)12-19(20)26/h1-13H,14H2,(H,27,30).
What are the key properties of 2-[4-(4-chlorophenyl)-1-phenylimidazol-2-yl]sulfonyl-N-(2,4-difluorophenyl)acetamide?
2-[4-(4-chlorophenyl)-1-phenylimidazol-2-yl]sulfonyl-N-(2,4-difluorophenyl)acetamide has a molecular weight of 487.92 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)-1-phenylimidazol-2-yl]sulfonyl-N-(2,4-difluorophenyl)acetamide is sourced from PubChem (CID 15987993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).