ethyl 1-[(2-fluorophenyl)methyl]-2-(4-sulfamoylphenyl)imidazole-4-carboxylate

C19H18FN3O4S — CID 25025619

IUPACethyl 1-[(2-fluorophenyl)methyl]-2-(4-sulfamoylphenyl)imidazole-4-carboxylate
SMILESCCOC(=O)c1cn(Cc2ccccc2F)c(-c2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C19H18FN3O4S/c1-2-27-19(24)17-12-23(11-14-5-3-4-6-16(14)20)18(22-17)13-7-9-15(10-8-13)28(21,25)26/h3-10,12H,2,11H2,1H3,(H2,21,25,26)
InChIKeyXCVYQOWJRCQPCK-UHFFFAOYSA-N
MW403.44 g/mol
LogP2.56
Rot. Bonds6

About ethyl 1-[(2-fluorophenyl)methyl]-2-(4-sulfamoylphenyl)imidazole-4-carboxylate

ethyl 1-[(2-fluorophenyl)methyl]-2-(4-sulfamoylphenyl)imidazole-4-carboxylate (PubChem CID 25025619) has the molecular formula C19H18FN3O4S and a molecular weight of 403.44 g/mol. Its IUPAC name is ethyl 1-[(2-fluorophenyl)methyl]-2-(4-sulfamoylphenyl)imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(2-fluorophenyl)methyl]-2-(4-sulfamoylphenyl)imidazole-4-carboxylate
PubChem CID25025619
Molecular FormulaC19H18FN3O4S
Molecular Weight403.44 g/mol
Exact Mass403.10
IUPAC Nameethyl 1-[(2-fluorophenyl)methyl]-2-(4-sulfamoylphenyl)imidazole-4-carboxylate
SMILESCCOC(=O)c1cn(Cc2ccccc2F)c(-c2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C19H18FN3O4S/c1-2-27-19(24)17-12-23(11-14-5-3-4-6-16(14)20)18(22-17)13-7-9-15(10-8-13)28(21,25)26/h3-10,12H,2,11H2,1H3,(H2,21,25,26)
InChIKeyXCVYQOWJRCQPCK-UHFFFAOYSA-N
XLogP2.56
TPSA104.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(2-fluorophenyl)methyl]-2-(4-sulfamoylphenyl)imidazole-4-carboxylate?
The IUPAC name of ethyl 1-[(2-fluorophenyl)methyl]-2-(4-sulfamoylphenyl)imidazole-4-carboxylate (CID 25025619) is ethyl 1-[(2-fluorophenyl)methyl]-2-(4-sulfamoylphenyl)imidazole-4-carboxylate.
What is the SMILES notation for ethyl 1-[(2-fluorophenyl)methyl]-2-(4-sulfamoylphenyl)imidazole-4-carboxylate?
The canonical SMILES for ethyl 1-[(2-fluorophenyl)methyl]-2-(4-sulfamoylphenyl)imidazole-4-carboxylate is CCOC(=O)c1cn(Cc2ccccc2F)c(-c2ccc(S(N)(=O)=O)cc2)n1.
What is the InChIKey of ethyl 1-[(2-fluorophenyl)methyl]-2-(4-sulfamoylphenyl)imidazole-4-carboxylate?
The InChIKey is XCVYQOWJRCQPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O4S/c1-2-27-19(24)17-12-23(11-14-5-3-4-6-16(14)20)18(22-17)13-7-9-15(10-8-13)28(21,25)26/h3-10,12H,2,11H2,1H3,(H2,21,25,26).
What are the key properties of ethyl 1-[(2-fluorophenyl)methyl]-2-(4-sulfamoylphenyl)imidazole-4-carboxylate?
ethyl 1-[(2-fluorophenyl)methyl]-2-(4-sulfamoylphenyl)imidazole-4-carboxylate has a molecular weight of 403.44 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(2-fluorophenyl)methyl]-2-(4-sulfamoylphenyl)imidazole-4-carboxylate is sourced from PubChem (CID 25025619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).