N-[4-fluoro-3-[(4-fluorophenyl)sulfamoyl]phenyl]-1,3-oxazole-2-carboxamide

C16H11F2N3O4S — CID 166755207

IUPACN-[4-fluoro-3-[(4-fluorophenyl)sulfamoyl]phenyl]-1,3-oxazole-2-carboxamide
SMILESO=C(Nc1ccc(F)c(S(=O)(=O)Nc2ccc(F)cc2)c1)c1ncco1
InChIInChI=1S/C16H11F2N3O4S/c17-10-1-3-11(4-2-10)21-26(23,24)14-9-12(5-6-13(14)18)20-15(22)16-19-7-8-25-16/h1-9,21H,(H,20,22)
InChIKeyKMWQYSBHDIPWTD-UHFFFAOYSA-N
MW379.34 g/mol
LogP3.01
Rot. Bonds5

About N-[4-fluoro-3-[(4-fluorophenyl)sulfamoyl]phenyl]-1,3-oxazole-2-carboxamide

N-[4-fluoro-3-[(4-fluorophenyl)sulfamoyl]phenyl]-1,3-oxazole-2-carboxamide (PubChem CID 166755207) has the molecular formula C16H11F2N3O4S and a molecular weight of 379.34 g/mol. Its IUPAC name is N-[4-fluoro-3-[(4-fluorophenyl)sulfamoyl]phenyl]-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound NameN-[4-fluoro-3-[(4-fluorophenyl)sulfamoyl]phenyl]-1,3-oxazole-2-carboxamide
PubChem CID166755207
Molecular FormulaC16H11F2N3O4S
Molecular Weight379.34 g/mol
Exact Mass379.04
IUPAC NameN-[4-fluoro-3-[(4-fluorophenyl)sulfamoyl]phenyl]-1,3-oxazole-2-carboxamide
SMILESO=C(Nc1ccc(F)c(S(=O)(=O)Nc2ccc(F)cc2)c1)c1ncco1
InChIInChI=1S/C16H11F2N3O4S/c17-10-1-3-11(4-2-10)21-26(23,24)14-9-12(5-6-13(14)18)20-15(22)16-19-7-8-25-16/h1-9,21H,(H,20,22)
InChIKeyKMWQYSBHDIPWTD-UHFFFAOYSA-N
XLogP3.01
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.34
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-bis(4-fluorophenyl)-1-(1,3-oxazol-2-yl)methanesulfinamide
CID 67058031
N-[4-ethyl-3-[4-(trifluoromethyl)anilino]sulfanylphenyl]-1,3-oxazole-2-carboxamide
CID 156859712
N-[4-fluoro-3-(4-fluoroanilino)sulfanylphenyl]-1,3-oxazole-2-carboxamide
CID 156860002
2-ethyl-5-[1-(1,3-oxazol-2-yl)ethenylamino]-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 166755204
N-[3-[(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]phenyl]-1,3-oxazole-2-carboxamide
CID 166755232
N-[4-ethyl-3-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-1,3-oxazole-2-carboxamide
CID 168786242
N-[2-fluoro-5-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoyl]phenyl]acetamide
CID 99818085
3-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,4-difluorobenzenesulfonamide
CID 106368926
3-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-fluorobenzenesulfonamide
CID 106368929
5-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzenesulfonamide
CID 106368932
3-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluorobenzenesulfonamide
CID 106368937
5-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,3-difluorobenzenesulfonamide
CID 106368940

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-[(4-fluorophenyl)sulfamoyl]phenyl]-1,3-oxazole-2-carboxamide?
The IUPAC name of N-[4-fluoro-3-[(4-fluorophenyl)sulfamoyl]phenyl]-1,3-oxazole-2-carboxamide (CID 166755207) is N-[4-fluoro-3-[(4-fluorophenyl)sulfamoyl]phenyl]-1,3-oxazole-2-carboxamide.
What is the SMILES notation for N-[4-fluoro-3-[(4-fluorophenyl)sulfamoyl]phenyl]-1,3-oxazole-2-carboxamide?
The canonical SMILES for N-[4-fluoro-3-[(4-fluorophenyl)sulfamoyl]phenyl]-1,3-oxazole-2-carboxamide is O=C(Nc1ccc(F)c(S(=O)(=O)Nc2ccc(F)cc2)c1)c1ncco1.
What is the InChIKey of N-[4-fluoro-3-[(4-fluorophenyl)sulfamoyl]phenyl]-1,3-oxazole-2-carboxamide?
The InChIKey is KMWQYSBHDIPWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N3O4S/c17-10-1-3-11(4-2-10)21-26(23,24)14-9-12(5-6-13(14)18)20-15(22)16-19-7-8-25-16/h1-9,21H,(H,20,22).
What are the key properties of N-[4-fluoro-3-[(4-fluorophenyl)sulfamoyl]phenyl]-1,3-oxazole-2-carboxamide?
N-[4-fluoro-3-[(4-fluorophenyl)sulfamoyl]phenyl]-1,3-oxazole-2-carboxamide has a molecular weight of 379.34 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-[(4-fluorophenyl)sulfamoyl]phenyl]-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 166755207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).