methyl 5-[5-[(2,4-difluorophenyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate

C15H10F2N2O5S2 — CID 46341372

IUPACmethyl 5-[5-[(2,4-difluorophenyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(S(=O)(=O)Nc3ccc(F)cc3F)s2)on1
InChIInChI=1S/C15H10F2N2O5S2/c1-23-15(20)11-7-12(24-18-11)13-4-5-14(25-13)26(21,22)19-10-3-2-8(16)6-9(10)17/h2-7,19H,1H3
InChIKeyZXLJFRWAUGQFBL-UHFFFAOYSA-N
MW400.38 g/mol
LogP3.27
Rot. Bonds5

About methyl 5-[5-[(2,4-difluorophenyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate

methyl 5-[5-[(2,4-difluorophenyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate (PubChem CID 46341372) has the molecular formula C15H10F2N2O5S2 and a molecular weight of 400.38 g/mol. Its IUPAC name is methyl 5-[5-[(2,4-difluorophenyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[5-[(2,4-difluorophenyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate
PubChem CID46341372
Molecular FormulaC15H10F2N2O5S2
Molecular Weight400.38 g/mol
Exact Mass400.00
IUPAC Namemethyl 5-[5-[(2,4-difluorophenyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(S(=O)(=O)Nc3ccc(F)cc3F)s2)on1
InChIInChI=1S/C15H10F2N2O5S2/c1-23-15(20)11-7-12(24-18-11)13-4-5-14(25-13)26(21,22)19-10-3-2-8(16)6-9(10)17/h2-7,19H,1H3
InChIKeyZXLJFRWAUGQFBL-UHFFFAOYSA-N
XLogP3.27
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.38
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 5-[5-[(4-fluorophenyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate
CID 46341377
methyl 5-[5-[(3-methoxyphenyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate
CID 46341364
methyl 5-[5-(cyclopentylsulfamoyl)thiophen-2-yl]-1,2-oxazole-3-carboxylate
CID 46341371
methyl 5-[5-[benzyl(methyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate
CID 20950124
methyl 2-bromo-5-[(2,4-difluorophenyl)sulfamoyl]-4-fluorobenzoate
CID 86957052
N-(2-methoxyphenyl)-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 53112015
ethyl 5-[5-[(3-chloro-4-methylphenyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate
CID 20950037
N-(2-ethoxyphenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 20936262
5-[(2,4-difluorophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 43311182
methyl 3-[(2,4-difluorophenyl)sulfamoyl]-1-benzothiophene-2-carboxylate
CID 20944583
N-(3-fluoro-4-methylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 20936257
methyl 5-[(2,4-difluorophenyl)sulfonylamino]-2,4-difluorobenzoate
CID 31808073

Frequently Asked Questions

What is the IUPAC name of methyl 5-[5-[(2,4-difluorophenyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate?
The IUPAC name of methyl 5-[5-[(2,4-difluorophenyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate (CID 46341372) is methyl 5-[5-[(2,4-difluorophenyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate.
What is the SMILES notation for methyl 5-[5-[(2,4-difluorophenyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate?
The canonical SMILES for methyl 5-[5-[(2,4-difluorophenyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate is COC(=O)c1cc(-c2ccc(S(=O)(=O)Nc3ccc(F)cc3F)s2)on1.
What is the InChIKey of methyl 5-[5-[(2,4-difluorophenyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate?
The InChIKey is ZXLJFRWAUGQFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2O5S2/c1-23-15(20)11-7-12(24-18-11)13-4-5-14(25-13)26(21,22)19-10-3-2-8(16)6-9(10)17/h2-7,19H,1H3.
What are the key properties of methyl 5-[5-[(2,4-difluorophenyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate?
methyl 5-[5-[(2,4-difluorophenyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate has a molecular weight of 400.38 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[5-[(2,4-difluorophenyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 46341372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).