N-[(3-fluoro-4-methylphenyl)methyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide

C21H18F2N2O3S — CID 34485319

IUPACN-[(3-fluoro-4-methylphenyl)methyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
SMILESCc1ccc(CNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)cc1F
InChIInChI=1S/C21H18F2N2O3S/c1-14-9-10-15(11-19(14)23)13-24-21(26)16-5-4-6-17(12-16)29(27,28)25-20-8-3-2-7-18(20)22/h2-12,25H,13H2,1H3,(H,24,26)
InChIKeyBUNDBPWGMDPUGE-UHFFFAOYSA-N
MW416.45 g/mol
LogP4.00
Rot. Bonds6

About N-[(3-fluoro-4-methylphenyl)methyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide

N-[(3-fluoro-4-methylphenyl)methyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide (PubChem CID 34485319) has the molecular formula C21H18F2N2O3S and a molecular weight of 416.45 g/mol. Its IUPAC name is N-[(3-fluoro-4-methylphenyl)methyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-methylphenyl)methyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
PubChem CID34485319
Molecular FormulaC21H18F2N2O3S
Molecular Weight416.45 g/mol
Exact Mass416.10
IUPAC NameN-[(3-fluoro-4-methylphenyl)methyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
SMILESCc1ccc(CNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)cc1F
InChIInChI=1S/C21H18F2N2O3S/c1-14-9-10-15(11-19(14)23)13-24-21(26)16-5-4-6-17(12-16)29(27,28)25-20-8-3-2-7-18(20)22/h2-12,25H,13H2,1H3,(H,24,26)
InChIKeyBUNDBPWGMDPUGE-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

3-fluoro-N-[2-[[4-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]ethyl]-4-methylbenzamide
CID 24666950
3-[(2-fluorophenyl)sulfamoyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
CID 47080387
N-[3-(dimethylamino)propyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 109064246
N-[2-(ethylamino)-2-oxoethyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 18145874
3-bromo-N-[(3-fluoro-4-methylphenyl)methyl]benzamide
CID 25316330
N-[2-(cyclohexen-1-yl)ethyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 30500746
N-ethyl-3-[[3-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide
CID 55406945
N-(4-fluoro-2-methylphenyl)-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 7980566
3-[(2-fluorophenyl)sulfamoyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 36751788
3-amino-N-[(3-fluoro-4-methylphenyl)methyl]benzamide
CID 43471397
3-[(2-fluorophenyl)sulfamoyl]-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 39248461
3-[(2-fluorophenyl)sulfamoyl]-N-(3-methylphenyl)benzamide
CID 26537969

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide?
The IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide (CID 34485319) is N-[(3-fluoro-4-methylphenyl)methyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[(3-fluoro-4-methylphenyl)methyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[(3-fluoro-4-methylphenyl)methyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide is Cc1ccc(CNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methylphenyl)methyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide?
The InChIKey is BUNDBPWGMDPUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N2O3S/c1-14-9-10-15(11-19(14)23)13-24-21(26)16-5-4-6-17(12-16)29(27,28)25-20-8-3-2-7-18(20)22/h2-12,25H,13H2,1H3,(H,24,26).
What are the key properties of N-[(3-fluoro-4-methylphenyl)methyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide?
N-[(3-fluoro-4-methylphenyl)methyl]-3-[(2-fluorophenyl)sulfamoyl]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 N-[(3-fluoro-4-methylphenyl)methyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide is sourced from PubChem (CID 34485319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).