N-[(2-fluorophenyl)methyl]-3-[(4-fluorophenyl)sulfamoyl]-N-methylbenzamide

C21H18F2N2O3S — CID 9409340

IUPACN-[(2-fluorophenyl)methyl]-3-[(4-fluorophenyl)sulfamoyl]-N-methylbenzamide
SMILESCN(Cc1ccccc1F)C(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C21H18F2N2O3S/c1-25(14-16-5-2-3-8-20(16)23)21(26)15-6-4-7-19(13-15)29(27,28)24-18-11-9-17(22)10-12-18/h2-13,24H,14H2,1H3
InChIKeyGBXRAEMVRJGWQR-UHFFFAOYSA-N
MW416.45 g/mol
LogP4.04
Rot. Bonds6

About N-[(2-fluorophenyl)methyl]-3-[(4-fluorophenyl)sulfamoyl]-N-methylbenzamide

N-[(2-fluorophenyl)methyl]-3-[(4-fluorophenyl)sulfamoyl]-N-methylbenzamide (PubChem CID 9409340) has the molecular formula C21H18F2N2O3S and a molecular weight of 416.45 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-3-[(4-fluorophenyl)sulfamoyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-3-[(4-fluorophenyl)sulfamoyl]-N-methylbenzamide
PubChem CID9409340
Molecular FormulaC21H18F2N2O3S
Molecular Weight416.45 g/mol
Exact Mass416.10
IUPAC NameN-[(2-fluorophenyl)methyl]-3-[(4-fluorophenyl)sulfamoyl]-N-methylbenzamide
SMILESCN(Cc1ccccc1F)C(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C21H18F2N2O3S/c1-25(14-16-5-2-3-8-20(16)23)21(26)15-6-4-7-19(13-15)29(27,28)24-18-11-9-17(22)10-12-18/h2-13,24H,14H2,1H3
InChIKeyGBXRAEMVRJGWQR-UHFFFAOYSA-N
XLogP4.04
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.45
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)-2-oxoethyl]-3-[(4-fluorophenyl)sulfamoyl]-N-methylbenzamide
CID 9227015
N-[(2-bromophenyl)methyl]-3-[(2-fluorophenyl)sulfamoyl]-N-methylbenzamide
CID 30288210
N-[(2-chlorophenyl)methyl]-4-[(4-fluorophenyl)sulfonylamino]-N-methylbenzamide
CID 26594107
N-[(2-fluorophenyl)methyl]-N-methyl-3-(propylsulfonylamino)benzamide
CID 37137902
N-[(2-fluorophenyl)methyl]-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N-methylbenzamide
CID 55329281
N-[2-(dimethylamino)ethyl]-3-[(4-fluorophenyl)sulfamoyl]-N-propylbenzamide
CID 86892169
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 34576472
N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 60628244
3-[(4-fluorophenyl)sulfamoyl]-N-[(2S)-2-phenylpropyl]benzamide
CID 9302470
N-[(2-fluorophenyl)methyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]-N-methylbenzamide
CID 31138593
3-[(4-fluorophenyl)sulfamoyl]-N-pentylbenzamide
CID 7964289
3,5-difluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 78769060

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-3-[(4-fluorophenyl)sulfamoyl]-N-methylbenzamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-3-[(4-fluorophenyl)sulfamoyl]-N-methylbenzamide (CID 9409340) is N-[(2-fluorophenyl)methyl]-3-[(4-fluorophenyl)sulfamoyl]-N-methylbenzamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-3-[(4-fluorophenyl)sulfamoyl]-N-methylbenzamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-3-[(4-fluorophenyl)sulfamoyl]-N-methylbenzamide is CN(Cc1ccccc1F)C(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-3-[(4-fluorophenyl)sulfamoyl]-N-methylbenzamide?
The InChIKey is GBXRAEMVRJGWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N2O3S/c1-25(14-16-5-2-3-8-20(16)23)21(26)15-6-4-7-19(13-15)29(27,28)24-18-11-9-17(22)10-12-18/h2-13,24H,14H2,1H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-3-[(4-fluorophenyl)sulfamoyl]-N-methylbenzamide?
N-[(2-fluorophenyl)methyl]-3-[(4-fluorophenyl)sulfamoyl]-N-methylbenzamide has a molecular weight of 416.45 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-3-[(4-fluorophenyl)sulfamoyl]-N-methylbenzamide is sourced from PubChem (CID 9409340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).