N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide

C24H24F3N3O3S — CID 60598503

IUPACN-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
SMILESCN(C)CCN(Cc1ccc(F)cc1F)C(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1
InChIInChI=1S/C24H24F3N3O3S/c1-29(2)12-13-30(16-18-10-11-19(25)15-22(18)27)24(31)17-6-5-7-20(14-17)34(32,33)28-23-9-4-3-8-21(23)26/h3-11,14-15,28H,12-13,16H2,1-2H3
InChIKeyPRIYOEHKCHOOCH-UHFFFAOYSA-N
MW491.54 g/mol
LogP4.11
Rot. Bonds9

About N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide

N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide (PubChem CID 60598503) has the molecular formula C24H24F3N3O3S and a molecular weight of 491.54 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
PubChem CID60598503
Molecular FormulaC24H24F3N3O3S
Molecular Weight491.54 g/mol
Exact Mass491.15
IUPAC NameN-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
SMILESCN(C)CCN(Cc1ccc(F)cc1F)C(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1
InChIInChI=1S/C24H24F3N3O3S/c1-29(2)12-13-30(16-18-10-11-19(25)15-22(18)27)24(31)17-6-5-7-20(14-17)34(32,33)28-23-9-4-3-8-21(23)26/h3-11,14-15,28H,12-13,16H2,1-2H3
InChIKeyPRIYOEHKCHOOCH-UHFFFAOYSA-N
XLogP4.11
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.54
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(dimethylamino)propyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 109064246
N-[(2-bromophenyl)methyl]-3-[(2-fluorophenyl)sulfamoyl]-N-methylbenzamide
CID 30288210
N-[2-(dimethylamino)ethyl]-3-[(4-fluorophenyl)sulfamoyl]-N-propylbenzamide
CID 86892169
N-[(2-fluorophenyl)methyl]-3-[(4-fluorophenyl)sulfamoyl]-N-methylbenzamide
CID 9409340
N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-4-(methoxymethyl)benzamide
CID 60598560
N-[(3-fluoro-4-methoxyphenyl)methyl]-3-[(2-fluorophenyl)sulfamoyl]-N-methylbenzamide
CID 17438125
N-(4-fluoro-2-methylphenyl)-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 7980566
N,N-diethyl-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 109065077
3-[(5-fluoro-2-methylphenyl)sulfamoyl]-N,N-dimethylbenzamide
CID 87026306
N-cyclohexyl-N-cyclopropyl-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 47074499
N-[3-(dimethylamino)propyl]-3-[(2-ethylphenyl)sulfamoyl]benzamide
CID 109064243
N-[2-(ethylamino)-2-oxoethyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 18145874

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide (CID 60598503) is N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide is CN(C)CCN(Cc1ccc(F)cc1F)C(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide?
The InChIKey is PRIYOEHKCHOOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N3O3S/c1-29(2)12-13-30(16-18-10-11-19(25)15-22(18)27)24(31)17-6-5-7-20(14-17)34(32,33)28-23-9-4-3-8-21(23)26/h3-11,14-15,28H,12-13,16H2,1-2H3.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide?
N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide has a molecular weight of 491.54 g/mol, XLogP of 4.11, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide is sourced from PubChem (CID 60598503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).