4-[(4-fluorophenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]benzamide

C21H19FN2O3S — CID 26850932

IUPAC4-[(4-fluorophenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C21H19FN2O3S/c1-15-2-4-16(5-3-15)14-23-21(25)17-6-12-20(13-7-17)28(26,27)24-19-10-8-18(22)9-11-19/h2-13,24H,14H2,1H3,(H,23,25)
InChIKeyHXXSRMXERKYNTI-UHFFFAOYSA-N
MW398.46 g/mol
LogP3.86
Rot. Bonds6

About 4-[(4-fluorophenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]benzamide

4-[(4-fluorophenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]benzamide (PubChem CID 26850932) has the molecular formula C21H19FN2O3S and a molecular weight of 398.46 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-[(4-fluorophenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]benzamide
PubChem CID26850932
Molecular FormulaC21H19FN2O3S
Molecular Weight398.46 g/mol
Exact Mass398.11
IUPAC Name4-[(4-fluorophenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C21H19FN2O3S/c1-15-2-4-16(5-3-15)14-23-21(25)17-6-12-20(13-7-17)28(26,27)24-19-10-8-18(22)9-11-19/h2-13,24H,14H2,1H3,(H,23,25)
InChIKeyHXXSRMXERKYNTI-UHFFFAOYSA-N
XLogP3.86
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3,4-difluorophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]benzamide
CID 2569077
4-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]benzamide
CID 4238415
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 9473851
4-[(4-fluorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 2666297
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 2982317
4-[(4-methylphenyl)sulfonylamino]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 46767206
1-N-[(4-fluorophenyl)methyl]-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109047255
N-[2-(4-fluorophenyl)ethyl]-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 9164370
N-[(3,4-dimethoxyphenyl)methyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 46771161
4-[(4-methylphenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 30861046
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(4-methylphenyl)acetamide
CID 27228794
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)acetamide
CID 28580249

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]benzamide?
The IUPAC name of 4-[(4-fluorophenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]benzamide (CID 26850932) is 4-[(4-fluorophenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]benzamide.
What is the SMILES notation for 4-[(4-fluorophenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]benzamide?
The canonical SMILES for 4-[(4-fluorophenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]benzamide is Cc1ccc(CNC(=O)c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]benzamide?
The InChIKey is HXXSRMXERKYNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O3S/c1-15-2-4-16(5-3-15)14-23-21(25)17-6-12-20(13-7-17)28(26,27)24-19-10-8-18(22)9-11-19/h2-13,24H,14H2,1H3,(H,23,25).
What are the key properties of 4-[(4-fluorophenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]benzamide?
4-[(4-fluorophenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]benzamide has a molecular weight of 398.46 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]benzamide is sourced from PubChem (CID 26850932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).