N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(methylsulfamoyl)furan-2-carboxamide

C13H10ClF3N2O4S — CID 112521234

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-5-(methylsulfamoyl)furan-2-carboxamide
SMILESCNS(=O)(=O)c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)o1
InChIInChI=1S/C13H10ClF3N2O4S/c1-18-24(21,22)11-5-4-10(23-11)12(20)19-9-6-7(13(15,16)17)2-3-8(9)14/h2-6,18H,1H3,(H,19,20)
InChIKeyILAUABKTWIJZBV-UHFFFAOYSA-N
MW382.75 g/mol
LogP3.11
Rot. Bonds4

About N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(methylsulfamoyl)furan-2-carboxamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(methylsulfamoyl)furan-2-carboxamide (PubChem CID 112521234) has the molecular formula C13H10ClF3N2O4S and a molecular weight of 382.75 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(methylsulfamoyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-5-(methylsulfamoyl)furan-2-carboxamide
PubChem CID112521234
Molecular FormulaC13H10ClF3N2O4S
Molecular Weight382.75 g/mol
Exact Mass382.00
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-5-(methylsulfamoyl)furan-2-carboxamide
SMILESCNS(=O)(=O)c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)o1
InChIInChI=1S/C13H10ClF3N2O4S/c1-18-24(21,22)11-5-4-10(23-11)12(20)19-9-6-7(13(15,16)17)2-3-8(9)14/h2-6,18H,1H3,(H,19,20)
InChIKeyILAUABKTWIJZBV-UHFFFAOYSA-N
XLogP3.11
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.75
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylfuran-2-carboxamide
CID 4175923
N-[3,5-bis(trifluoromethyl)phenyl]-5-(methylsulfamoyl)furan-2-carboxamide
CID 38739100
5-(methylsulfamoyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 55676456
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 3551441
5-[2-chloro-5-(trifluoromethyl)phenyl]-N-(2,4-dichlorophenyl)furan-2-carboxamide
CID 3643749
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxochromene-2-carboxamide
CID 17014479
6-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxochromene-2-carboxamide
CID 35181492
methyl 4-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl]benzoate
CID 54787072
5-methylsulfonyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 86944084
N-[2-chloro-5-(trifluoromethyl)phenyl]-8-methyl-4-oxochromene-2-carboxamide
CID 19119011
N-(4-hydroxy-2-methylphenyl)-5-(methylsulfamoyl)furan-2-carboxamide
CID 84577321
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 110682635

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(methylsulfamoyl)furan-2-carboxamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(methylsulfamoyl)furan-2-carboxamide (CID 112521234) is N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(methylsulfamoyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(methylsulfamoyl)furan-2-carboxamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(methylsulfamoyl)furan-2-carboxamide is CNS(=O)(=O)c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)o1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(methylsulfamoyl)furan-2-carboxamide?
The InChIKey is ILAUABKTWIJZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF3N2O4S/c1-18-24(21,22)11-5-4-10(23-11)12(20)19-9-6-7(13(15,16)17)2-3-8(9)14/h2-6,18H,1H3,(H,19,20).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(methylsulfamoyl)furan-2-carboxamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(methylsulfamoyl)furan-2-carboxamide has a molecular weight of 382.75 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(methylsulfamoyl)furan-2-carboxamide is sourced from PubChem (CID 112521234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).