2-fluoro-N-(4-fluorophenyl)-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide

C21H18F2N2O4S — CID 4096626

IUPAC2-fluoro-N-(4-fluorophenyl)-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide
SMILESCOc1ccccc1CNS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C21H18F2N2O4S/c1-29-20-5-3-2-4-14(20)13-24-30(27,28)17-10-11-19(23)18(12-17)21(26)25-16-8-6-15(22)7-9-16/h2-12,24H,13H2,1H3,(H,25,26)
InChIKeyUEAQTICARYUAKF-UHFFFAOYSA-N
MW432.45 g/mol
LogP3.70
Rot. Bonds7

About 2-fluoro-N-(4-fluorophenyl)-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide

2-fluoro-N-(4-fluorophenyl)-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide (PubChem CID 4096626) has the molecular formula C21H18F2N2O4S and a molecular weight of 432.45 g/mol. Its IUPAC name is 2-fluoro-N-(4-fluorophenyl)-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-(4-fluorophenyl)-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide
PubChem CID4096626
Molecular FormulaC21H18F2N2O4S
Molecular Weight432.45 g/mol
Exact Mass432.10
IUPAC Name2-fluoro-N-(4-fluorophenyl)-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide
SMILESCOc1ccccc1CNS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C21H18F2N2O4S/c1-29-20-5-3-2-4-14(20)13-24-30(27,28)17-10-11-19(23)18(12-17)21(26)25-16-8-6-15(22)7-9-16/h2-12,24H,13H2,1H3,(H,25,26)
InChIKeyUEAQTICARYUAKF-UHFFFAOYSA-N
XLogP3.70
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.45
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-2-fluoro-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide
CID 4085580
2-fluoro-N-(3-fluoro-4-methylphenyl)-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide
CID 4524450
N-(2,3-dichlorophenyl)-2-fluoro-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide
CID 3255952
4-fluoro-N-[2-fluoro-4-[(2-methoxyphenyl)methylsulfamoyl]phenyl]benzamide
CID 18893514
5-(ethylsulfamoyl)-N-(4-fluorophenyl)-2-methoxybenzamide
CID 19257861
N-(5-chloro-2-methoxyphenyl)-2-fluoro-5-[(4-fluorophenyl)methylsulfamoyl]benzamide
CID 4079781
5-[(2-fluorophenyl)methylsulfamoyl]-2-methoxy-N-methylbenzamide
CID 53282833
N-(4-fluorophenyl)-3-[(2-methylphenyl)methylsulfamoyl]benzamide
CID 109064559
2-fluoro-N-(2-methoxyphenyl)-5-(2-phenylethylsulfamoyl)benzamide
CID 5070664
2,3,4-trifluoro-N-[4-[(2-methoxyphenyl)methylamino]phenyl]benzamide
CID 112982662
N-[(5-chloro-2-methoxyphenyl)methyl]-4-fluorobenzenesulfonamide
CID 110780300
N-(4-bromophenyl)-2-fluoro-5-[(4-methylphenyl)methylsulfamoyl]benzamide
CID 4193197

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(4-fluorophenyl)-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide?
The IUPAC name of 2-fluoro-N-(4-fluorophenyl)-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide (CID 4096626) is 2-fluoro-N-(4-fluorophenyl)-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide.
What is the SMILES notation for 2-fluoro-N-(4-fluorophenyl)-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide?
The canonical SMILES for 2-fluoro-N-(4-fluorophenyl)-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide is COc1ccccc1CNS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(F)cc2)c1.
What is the InChIKey of 2-fluoro-N-(4-fluorophenyl)-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide?
The InChIKey is UEAQTICARYUAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N2O4S/c1-29-20-5-3-2-4-14(20)13-24-30(27,28)17-10-11-19(23)18(12-17)21(26)25-16-8-6-15(22)7-9-16/h2-12,24H,13H2,1H3,(H,25,26).
What are the key properties of 2-fluoro-N-(4-fluorophenyl)-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide?
2-fluoro-N-(4-fluorophenyl)-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide has a molecular weight of 432.45 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(4-fluorophenyl)-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide is sourced from PubChem (CID 4096626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).