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

C23H22F3N3O3S — CID 55889236

IUPAC5-(diethylsulfamoyl)-N-(2,4-difluorophenyl)-2-fluoro-N-(pyridin-2-ylmethyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)N(Cc2ccccn2)c2ccc(F)cc2F)c1
InChIInChI=1S/C23H22F3N3O3S/c1-3-28(4-2)33(31,32)18-9-10-20(25)19(14-18)23(30)29(15-17-7-5-6-12-27-17)22-11-8-16(24)13-21(22)26/h5-14H,3-4,15H2,1-2H3
InChIKeyRYPQGFROROTIKW-UHFFFAOYSA-N
MW477.51 g/mol
LogP4.38
Rot. Bonds8

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

5-(diethylsulfamoyl)-N-(2,4-difluorophenyl)-2-fluoro-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 55889236) has the molecular formula C23H22F3N3O3S and a molecular weight of 477.51 g/mol. Its IUPAC name is 5-(diethylsulfamoyl)-N-(2,4-difluorophenyl)-2-fluoro-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name5-(diethylsulfamoyl)-N-(2,4-difluorophenyl)-2-fluoro-N-(pyridin-2-ylmethyl)benzamide
PubChem CID55889236
Molecular FormulaC23H22F3N3O3S
Molecular Weight477.51 g/mol
Exact Mass477.13
IUPAC Name5-(diethylsulfamoyl)-N-(2,4-difluorophenyl)-2-fluoro-N-(pyridin-2-ylmethyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)N(Cc2ccccn2)c2ccc(F)cc2F)c1
InChIInChI=1S/C23H22F3N3O3S/c1-3-28(4-2)33(31,32)18-9-10-20(25)19(14-18)23(30)29(15-17-7-5-6-12-27-17)22-11-8-16(24)13-21(22)26/h5-14H,3-4,15H2,1-2H3
InChIKeyRYPQGFROROTIKW-UHFFFAOYSA-N
XLogP4.38
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.51
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(diethylsulfamoyl)-N-(2,4-difluorophenyl)-2-fluoro-N-(furan-2-ylmethyl)benzamide
CID 55888843
pyridin-2-ylmethyl 5-(diethylsulfamoyl)-2-fluorobenzoate
CID 25311392
5,6-dichloro-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 55890396
N-(2,4-difluorophenyl)-1,3-dimethyl-6-phenyl-N-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55889629
5-(diethylsulfamoyl)-2-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 17411092
ethyl 2-[(3,4-difluorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]acetate
CID 3855455
4-[benzyl(ethyl)sulfamoyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 43988065
N-(2,4-difluorophenyl)-2-(1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 55890007
2-(1,2-benzoxazol-3-yl)-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 55888858
N-(2,4-difluorophenyl)-4-(4-methoxyphenoxy)-N-(pyridin-2-ylmethyl)butanamide
CID 55890261
5-(diethylsulfamoyl)-2-fluoro-N-methyl-N-(1-phenylethyl)benzamide
CID 51188228
N-(2,4-difluorophenyl)-2-(2-methoxy-4-methylphenoxy)-N-(pyridin-2-ylmethyl)acetamide
CID 55889361

Frequently Asked Questions

What is the IUPAC name of 5-(diethylsulfamoyl)-N-(2,4-difluorophenyl)-2-fluoro-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 5-(diethylsulfamoyl)-N-(2,4-difluorophenyl)-2-fluoro-N-(pyridin-2-ylmethyl)benzamide (CID 55889236) is 5-(diethylsulfamoyl)-N-(2,4-difluorophenyl)-2-fluoro-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 5-(diethylsulfamoyl)-N-(2,4-difluorophenyl)-2-fluoro-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 5-(diethylsulfamoyl)-N-(2,4-difluorophenyl)-2-fluoro-N-(pyridin-2-ylmethyl)benzamide is CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)N(Cc2ccccn2)c2ccc(F)cc2F)c1.
What is the InChIKey of 5-(diethylsulfamoyl)-N-(2,4-difluorophenyl)-2-fluoro-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is RYPQGFROROTIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N3O3S/c1-3-28(4-2)33(31,32)18-9-10-20(25)19(14-18)23(30)29(15-17-7-5-6-12-27-17)22-11-8-16(24)13-21(22)26/h5-14H,3-4,15H2,1-2H3.
What are the key properties of 5-(diethylsulfamoyl)-N-(2,4-difluorophenyl)-2-fluoro-N-(pyridin-2-ylmethyl)benzamide?
5-(diethylsulfamoyl)-N-(2,4-difluorophenyl)-2-fluoro-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 477.51 g/mol, XLogP of 4.38, 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-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 55889236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).