5-(diethylsulfamoyl)-N-(2,4-difluorophenyl)-2-fluoro-N-(furan-2-ylmethyl)benzamide

C22H21F3N2O4S — CID 55888843

IUPAC5-(diethylsulfamoyl)-N-(2,4-difluorophenyl)-2-fluoro-N-(furan-2-ylmethyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)N(Cc2ccco2)c2ccc(F)cc2F)c1
InChIInChI=1S/C22H21F3N2O4S/c1-3-26(4-2)32(29,30)17-8-9-19(24)18(13-17)22(28)27(14-16-6-5-11-31-16)21-10-7-15(23)12-20(21)25/h5-13H,3-4,14H2,1-2H3
InChIKeyUQMIUVMWDHEVDF-UHFFFAOYSA-N
MW466.48 g/mol
LogP4.57
Rot. Bonds8

About 5-(diethylsulfamoyl)-N-(2,4-difluorophenyl)-2-fluoro-N-(furan-2-ylmethyl)benzamide

5-(diethylsulfamoyl)-N-(2,4-difluorophenyl)-2-fluoro-N-(furan-2-ylmethyl)benzamide (PubChem CID 55888843) has the molecular formula C22H21F3N2O4S and a molecular weight of 466.48 g/mol. Its IUPAC name is 5-(diethylsulfamoyl)-N-(2,4-difluorophenyl)-2-fluoro-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name5-(diethylsulfamoyl)-N-(2,4-difluorophenyl)-2-fluoro-N-(furan-2-ylmethyl)benzamide
PubChem CID55888843
Molecular FormulaC22H21F3N2O4S
Molecular Weight466.48 g/mol
Exact Mass466.12
IUPAC Name5-(diethylsulfamoyl)-N-(2,4-difluorophenyl)-2-fluoro-N-(furan-2-ylmethyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)N(Cc2ccco2)c2ccc(F)cc2F)c1
InChIInChI=1S/C22H21F3N2O4S/c1-3-26(4-2)32(29,30)17-8-9-19(24)18(13-17)22(28)27(14-16-6-5-11-31-16)21-10-7-15(23)12-20(21)25/h5-13H,3-4,14H2,1-2H3
InChIKeyUQMIUVMWDHEVDF-UHFFFAOYSA-N
XLogP4.57
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.48
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(diethylsulfamoyl)-N-(2,4-difluorophenyl)-2-fluoro-N-(pyridin-2-ylmethyl)benzamide
CID 55889236
N-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 55890384
5-chloro-N-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-2-nitrobenzamide
CID 75416181
N-[2-[[5-(diethylsulfamoyl)-2-fluorobenzoyl]amino]ethyl]furan-2-carboxamide
CID 34446965
N-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-3-phenylbutanamide
CID 55889992
5-(diethylsulfamoyl)-2-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 17411092
N-ethyl-2-fluoro-N-(furan-2-ylmethyl)-5-nitrobenzamide
CID 61050877
N-(2,4-difluorophenyl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(furan-2-ylmethyl)acetamide
CID 55890509
N-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-2-phenoxypropanamide
CID 55889101
1-(2,4-difluorophenyl)-1-(furan-2-ylmethyl)-3-(3,3,3-trifluoro-2-hydroxypropyl)urea
CID 71889559
N-(2,4-difluorophenyl)-1-(2,5-difluorophenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 55889356
4-amino-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide
CID 61105124

Frequently Asked Questions

What is the IUPAC name of 5-(diethylsulfamoyl)-N-(2,4-difluorophenyl)-2-fluoro-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 5-(diethylsulfamoyl)-N-(2,4-difluorophenyl)-2-fluoro-N-(furan-2-ylmethyl)benzamide (CID 55888843) is 5-(diethylsulfamoyl)-N-(2,4-difluorophenyl)-2-fluoro-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 5-(diethylsulfamoyl)-N-(2,4-difluorophenyl)-2-fluoro-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 5-(diethylsulfamoyl)-N-(2,4-difluorophenyl)-2-fluoro-N-(furan-2-ylmethyl)benzamide is CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)N(Cc2ccco2)c2ccc(F)cc2F)c1.
What is the InChIKey of 5-(diethylsulfamoyl)-N-(2,4-difluorophenyl)-2-fluoro-N-(furan-2-ylmethyl)benzamide?
The InChIKey is UQMIUVMWDHEVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N2O4S/c1-3-26(4-2)32(29,30)17-8-9-19(24)18(13-17)22(28)27(14-16-6-5-11-31-16)21-10-7-15(23)12-20(21)25/h5-13H,3-4,14H2,1-2H3.
What are the key properties of 5-(diethylsulfamoyl)-N-(2,4-difluorophenyl)-2-fluoro-N-(furan-2-ylmethyl)benzamide?
5-(diethylsulfamoyl)-N-(2,4-difluorophenyl)-2-fluoro-N-(furan-2-ylmethyl)benzamide has a molecular weight of 466.48 g/mol, XLogP of 4.57, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylsulfamoyl)-N-(2,4-difluorophenyl)-2-fluoro-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 55888843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).