N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

C17H15F3N4O4S — CID 35559988

IUPACN-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)Nc1cccc(S(=O)(=O)NCc2ccco2)c1
InChIInChI=1S/C17H15F3N4O4S/c18-17(19,20)15-6-7-24(23-15)11-16(25)22-12-3-1-5-14(9-12)29(26,27)21-10-13-4-2-8-28-13/h1-9,21H,10-11H2,(H,22,25)
InChIKeyPBKTUWXLDOBCBF-UHFFFAOYSA-N
MW428.39 g/mol
LogP2.61
Rot. Bonds7

About N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 35559988) has the molecular formula C17H15F3N4O4S and a molecular weight of 428.39 g/mol. Its IUPAC name is N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID35559988
Molecular FormulaC17H15F3N4O4S
Molecular Weight428.39 g/mol
Exact Mass428.08
IUPAC NameN-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)Nc1cccc(S(=O)(=O)NCc2ccco2)c1
InChIInChI=1S/C17H15F3N4O4S/c18-17(19,20)15-6-7-24(23-15)11-16(25)22-12-3-1-5-14(9-12)29(26,27)21-10-13-4-2-8-28-13/h1-9,21H,10-11H2,(H,22,25)
InChIKeyPBKTUWXLDOBCBF-UHFFFAOYSA-N
XLogP2.61
TPSA106.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.39
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 24639734
2-(azocan-1-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 8680183
2-(1,3-dioxoisoindol-2-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 24639699
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-(trifluoromethyl)benzamide
CID 24639746
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 4880016
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]pentanamide
CID 51154986
2-(3,4-dichlorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 34858380
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 55402300
N-[3-(methylcarbamoylamino)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 36825341
N-(3-cyanophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 9245501
N-[3-(methoxymethyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 33288169
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-(2-methoxyphenoxy)propanamide
CID 3532204

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 35559988) is N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is O=C(Cn1ccc(C(F)(F)F)n1)Nc1cccc(S(=O)(=O)NCc2ccco2)c1.
What is the InChIKey of N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is PBKTUWXLDOBCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O4S/c18-17(19,20)15-6-7-24(23-15)11-16(25)22-12-3-1-5-14(9-12)29(26,27)21-10-13-4-2-8-28-13/h1-9,21H,10-11H2,(H,22,25).
What are the key properties of N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 428.39 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 35559988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).