4-[(3,4-difluorophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]benzamide

C21H18F2N2O3S — CID 2569077

IUPAC4-[(3,4-difluorophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)cc1
InChIInChI=1S/C21H18F2N2O3S/c1-14-2-4-15(5-3-14)13-24-21(26)16-6-8-17(9-7-16)25-29(27,28)18-10-11-19(22)20(23)12-18/h2-12,25H,13H2,1H3,(H,24,26)
InChIKeyJDMOJHUXAFXZIS-UHFFFAOYSA-N
MW416.45 g/mol
LogP4.00
Rot. Bonds6

About 4-[(3,4-difluorophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]benzamide

4-[(3,4-difluorophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]benzamide (PubChem CID 2569077) has the molecular formula C21H18F2N2O3S and a molecular weight of 416.45 g/mol. Its IUPAC name is 4-[(3,4-difluorophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-[(3,4-difluorophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]benzamide
PubChem CID2569077
Molecular FormulaC21H18F2N2O3S
Molecular Weight416.45 g/mol
Exact Mass416.10
IUPAC Name4-[(3,4-difluorophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)cc1
InChIInChI=1S/C21H18F2N2O3S/c1-14-2-4-15(5-3-14)13-24-21(26)16-6-8-17(9-7-16)25-29(27,28)18-10-11-19(22)20(23)12-18/h2-12,25H,13H2,1H3,(H,24,26)
InChIKeyJDMOJHUXAFXZIS-UHFFFAOYSA-N
XLogP4.00
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.45
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3,4-difluorophenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]benzamide
CID 2487545
4-[(4-fluorophenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]benzamide
CID 26850932
4-[(3,4-difluorophenyl)sulfonylamino]-N-[(4-nitrophenyl)methyl]benzamide
CID 55946421
4-[(3,4-difluorophenyl)sulfonylamino]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 27167990
4-[(3,4-difluorophenyl)sulfonylamino]-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 27256677
4-[(3,4-difluorophenyl)sulfonylamino]-N-methylbenzamide
CID 25335198
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 9473851
N-[(2,4-dichlorophenyl)methyl]-4-[(3,4-difluorophenyl)sulfonylamino]benzamide
CID 4617955
N-[(3,4-dimethoxyphenyl)methyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 46771161
4-[(4-methylphenyl)sulfonylamino]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 46767206
4-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]benzamide
CID 4238415
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
CID 24980410

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-difluorophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]benzamide?
The IUPAC name of 4-[(3,4-difluorophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]benzamide (CID 2569077) is 4-[(3,4-difluorophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]benzamide.
What is the SMILES notation for 4-[(3,4-difluorophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]benzamide?
The canonical SMILES for 4-[(3,4-difluorophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]benzamide is Cc1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)cc1.
What is the InChIKey of 4-[(3,4-difluorophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]benzamide?
The InChIKey is JDMOJHUXAFXZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N2O3S/c1-14-2-4-15(5-3-14)13-24-21(26)16-6-8-17(9-7-16)25-29(27,28)18-10-11-19(22)20(23)12-18/h2-12,25H,13H2,1H3,(H,24,26).
What are the key properties of 4-[(3,4-difluorophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]benzamide?
4-[(3,4-difluorophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]benzamide has a molecular weight of 416.45 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-difluorophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]benzamide is sourced from PubChem (CID 2569077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).