N-[3,5-bis(trifluoromethyl)phenyl]-5-(methylsulfamoyl)furan-2-carboxamide

C14H10F6N2O4S — CID 38739100

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-5-(methylsulfamoyl)furan-2-carboxamide
SMILESCNS(=O)(=O)c1ccc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1
InChIInChI=1S/C14H10F6N2O4S/c1-21-27(24,25)11-3-2-10(26-11)12(23)22-9-5-7(13(15,16)17)4-8(6-9)14(18,19)20/h2-6,21H,1H3,(H,22,23)
InChIKeyWHRJCXWGPVDBCZ-UHFFFAOYSA-N
MW416.30 g/mol
LogP3.48
Rot. Bonds4

About N-[3,5-bis(trifluoromethyl)phenyl]-5-(methylsulfamoyl)furan-2-carboxamide

N-[3,5-bis(trifluoromethyl)phenyl]-5-(methylsulfamoyl)furan-2-carboxamide (PubChem CID 38739100) has the molecular formula C14H10F6N2O4S and a molecular weight of 416.30 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-5-(methylsulfamoyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-5-(methylsulfamoyl)furan-2-carboxamide
PubChem CID38739100
Molecular FormulaC14H10F6N2O4S
Molecular Weight416.30 g/mol
Exact Mass416.03
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-5-(methylsulfamoyl)furan-2-carboxamide
SMILESCNS(=O)(=O)c1ccc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1
InChIInChI=1S/C14H10F6N2O4S/c1-21-27(24,25)11-3-2-10(26-11)12(23)22-9-5-7(13(15,16)17)4-8(6-9)14(18,19)20/h2-6,21H,1H3,(H,22,23)
InChIKeyWHRJCXWGPVDBCZ-UHFFFAOYSA-N
XLogP3.48
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.30
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(methylsulfamoyl)furan-2-carboxamide
CID 112521234
N-[4-(2-methylpropanoylamino)phenyl]-5-(methylsulfamoyl)furan-2-carboxamide
CID 46430489
5-(methylsulfamoyl)-N-naphthalen-2-ylfuran-2-carboxamide
CID 38763881
5-(methylsulfamoyl)-N-(3,3,3-trifluoropropyl)furan-2-carboxamide
CID 112527770
N-[3-bromo-5-(trifluoromethyl)phenyl]-5-chlorofuran-2-carboxamide
CID 103708558
5-(methylsulfamoyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 55676456
N-[3,5-bis(trifluoromethyl)phenyl]-5-(4-fluorophenyl)furan-2-carboxamide
CID 3966272
N-[3-(dimethylamino)phenyl]-5-(methylsulfamoyl)furan-2-carboxamide
CID 84577331
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-5-(methylsulfonylmethyl)furan-2-carboxamide
CID 120604579
2-methyl-2-[4-[[5-(methylsulfamoyl)furan-2-carbonyl]amino]pyrazol-1-yl]propanoic acid
CID 120696360
N-(4-hydroxy-2-methylphenyl)-5-(methylsulfamoyl)furan-2-carboxamide
CID 84577321
N-[2-methyl-2-(3-methylphenyl)propyl]-5-(methylsulfamoyl)furan-2-carboxamide
CID 51127790

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-5-(methylsulfamoyl)furan-2-carboxamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-5-(methylsulfamoyl)furan-2-carboxamide (CID 38739100) is N-[3,5-bis(trifluoromethyl)phenyl]-5-(methylsulfamoyl)furan-2-carboxamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-5-(methylsulfamoyl)furan-2-carboxamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-5-(methylsulfamoyl)furan-2-carboxamide is CNS(=O)(=O)c1ccc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-5-(methylsulfamoyl)furan-2-carboxamide?
The InChIKey is WHRJCXWGPVDBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F6N2O4S/c1-21-27(24,25)11-3-2-10(26-11)12(23)22-9-5-7(13(15,16)17)4-8(6-9)14(18,19)20/h2-6,21H,1H3,(H,22,23).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-5-(methylsulfamoyl)furan-2-carboxamide?
N-[3,5-bis(trifluoromethyl)phenyl]-5-(methylsulfamoyl)furan-2-carboxamide has a molecular weight of 416.30 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-5-(methylsulfamoyl)furan-2-carboxamide is sourced from PubChem (CID 38739100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).