5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole-2-sulfonamide

C18H16Cl2FN3O2S — CID 70865681

IUPAC5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole-2-sulfonamide
SMILESCC(C)(c1ccc(Cl)c(Cl)c1)c1cnc(S(N)(=O)=O)n1-c1ccc(F)cc1
InChIInChI=1S/C18H16Cl2FN3O2S/c1-18(2,11-3-8-14(19)15(20)9-11)16-10-23-17(27(22,25)26)24(16)13-6-4-12(21)5-7-13/h3-10H,1-2H3,(H2,22,25,26)
InChIKeyDALHIRJUBCOZGS-UHFFFAOYSA-N
MW428.32 g/mol
LogP4.29
Rot. Bonds4

About 5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole-2-sulfonamide

5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole-2-sulfonamide (PubChem CID 70865681) has the molecular formula C18H16Cl2FN3O2S and a molecular weight of 428.32 g/mol. Its IUPAC name is 5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole-2-sulfonamide.

Molecular Properties

Compound Name5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole-2-sulfonamide
PubChem CID70865681
Molecular FormulaC18H16Cl2FN3O2S
Molecular Weight428.32 g/mol
Exact Mass427.03
IUPAC Name5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole-2-sulfonamide
SMILESCC(C)(c1ccc(Cl)c(Cl)c1)c1cnc(S(N)(=O)=O)n1-c1ccc(F)cc1
InChIInChI=1S/C18H16Cl2FN3O2S/c1-18(2,11-3-8-14(19)15(20)9-11)16-10-23-17(27(22,25)26)24(16)13-6-4-12(21)5-7-13/h3-10H,1-2H3,(H2,22,25,26)
InChIKeyDALHIRJUBCOZGS-UHFFFAOYSA-N
XLogP4.29
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.32
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole-2-sulfonamide?
The IUPAC name of 5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole-2-sulfonamide (CID 70865681) is 5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole-2-sulfonamide.
What is the SMILES notation for 5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole-2-sulfonamide?
The canonical SMILES for 5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole-2-sulfonamide is CC(C)(c1ccc(Cl)c(Cl)c1)c1cnc(S(N)(=O)=O)n1-c1ccc(F)cc1.
What is the InChIKey of 5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole-2-sulfonamide?
The InChIKey is DALHIRJUBCOZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2FN3O2S/c1-18(2,11-3-8-14(19)15(20)9-11)16-10-23-17(27(22,25)26)24(16)13-6-4-12(21)5-7-13/h3-10H,1-2H3,(H2,22,25,26).
What are the key properties of 5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole-2-sulfonamide?
5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole-2-sulfonamide has a molecular weight of 428.32 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole-2-sulfonamide is sourced from PubChem (CID 70865681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).