2-fluoro-N-(3-fluoro-4-methylphenyl)-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide

C22H20F2N2O4S — CID 4524450

IUPAC2-fluoro-N-(3-fluoro-4-methylphenyl)-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide
SMILESCOc1ccccc1CNS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(C)c(F)c2)c1
InChIInChI=1S/C22H20F2N2O4S/c1-14-7-8-16(11-20(14)24)26-22(27)18-12-17(9-10-19(18)23)31(28,29)25-13-15-5-3-4-6-21(15)30-2/h3-12,25H,13H2,1-2H3,(H,26,27)
InChIKeyXZMJLQIUHTZTBH-UHFFFAOYSA-N
MW446.48 g/mol
LogP4.01
Rot. Bonds7

About 2-fluoro-N-(3-fluoro-4-methylphenyl)-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide

2-fluoro-N-(3-fluoro-4-methylphenyl)-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide (PubChem CID 4524450) has the molecular formula C22H20F2N2O4S and a molecular weight of 446.48 g/mol. Its IUPAC name is 2-fluoro-N-(3-fluoro-4-methylphenyl)-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-(3-fluoro-4-methylphenyl)-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide
PubChem CID4524450
Molecular FormulaC22H20F2N2O4S
Molecular Weight446.48 g/mol
Exact Mass446.11
IUPAC Name2-fluoro-N-(3-fluoro-4-methylphenyl)-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide
SMILESCOc1ccccc1CNS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(C)c(F)c2)c1
InChIInChI=1S/C22H20F2N2O4S/c1-14-7-8-16(11-20(14)24)26-22(27)18-12-17(9-10-19(18)23)31(28,29)25-13-15-5-3-4-6-21(15)30-2/h3-12,25H,13H2,1-2H3,(H,26,27)
InChIKeyXZMJLQIUHTZTBH-UHFFFAOYSA-N
XLogP4.01
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.48
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-(4-fluorophenyl)-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide
CID 4096626
N-(4-chlorophenyl)-2-fluoro-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide
CID 4085580
N-(2,3-dichlorophenyl)-2-fluoro-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide
CID 3255952
2-fluoro-N-(3-fluoro-4-methylphenyl)-5-(propylsulfamoyl)benzamide
CID 25038796
5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(3-fluoro-4-methylphenyl)benzamide
CID 90259140
3-chloro-N-[(2-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 3299523
4-fluoro-N-[2-fluoro-4-[(2-methoxyphenyl)methylsulfamoyl]phenyl]benzamide
CID 18893514
2-fluoro-N-(2-methoxyphenyl)-5-(2-phenylethylsulfamoyl)benzamide
CID 5070664
5-[(2-fluorophenyl)methylsulfamoyl]-2-methoxy-N-methylbenzamide
CID 53282833
3-fluoro-N-[(2-fluorophenyl)methyl]-4-methylbenzenesulfonamide
CID 39620815
5-[(2-chlorophenyl)methylsulfamoyl]-N-(2,3-dimethylphenyl)-2-fluorobenzamide
CID 5142552
N-(3,4-difluorophenyl)-2-fluoro-5-(furan-2-ylmethylsulfamoyl)benzamide
CID 4115156

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(3-fluoro-4-methylphenyl)-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide?
The IUPAC name of 2-fluoro-N-(3-fluoro-4-methylphenyl)-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide (CID 4524450) is 2-fluoro-N-(3-fluoro-4-methylphenyl)-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide.
What is the SMILES notation for 2-fluoro-N-(3-fluoro-4-methylphenyl)-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide?
The canonical SMILES for 2-fluoro-N-(3-fluoro-4-methylphenyl)-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide is COc1ccccc1CNS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(C)c(F)c2)c1.
What is the InChIKey of 2-fluoro-N-(3-fluoro-4-methylphenyl)-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide?
The InChIKey is XZMJLQIUHTZTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N2O4S/c1-14-7-8-16(11-20(14)24)26-22(27)18-12-17(9-10-19(18)23)31(28,29)25-13-15-5-3-4-6-21(15)30-2/h3-12,25H,13H2,1-2H3,(H,26,27).
What are the key properties of 2-fluoro-N-(3-fluoro-4-methylphenyl)-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide?
2-fluoro-N-(3-fluoro-4-methylphenyl)-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide has a molecular weight of 446.48 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(3-fluoro-4-methylphenyl)-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide is sourced from PubChem (CID 4524450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).