2-fluoro-N-(2-methoxyphenyl)-5-(2-phenylethylsulfamoyl)benzamide

C22H21FN2O4S — CID 5070664

IUPAC2-fluoro-N-(2-methoxyphenyl)-5-(2-phenylethylsulfamoyl)benzamide
SMILESCOc1ccccc1NC(=O)c1cc(S(=O)(=O)NCCc2ccccc2)ccc1F
InChIInChI=1S/C22H21FN2O4S/c1-29-21-10-6-5-9-20(21)25-22(26)18-15-17(11-12-19(18)23)30(27,28)24-14-13-16-7-3-2-4-8-16/h2-12,15,24H,13-14H2,1H3,(H,25,26)
InChIKeySGUQFOYVEGOVSX-UHFFFAOYSA-N
MW428.49 g/mol
LogP3.61
Rot. Bonds8

About 2-fluoro-N-(2-methoxyphenyl)-5-(2-phenylethylsulfamoyl)benzamide

2-fluoro-N-(2-methoxyphenyl)-5-(2-phenylethylsulfamoyl)benzamide (PubChem CID 5070664) has the molecular formula C22H21FN2O4S and a molecular weight of 428.49 g/mol. Its IUPAC name is 2-fluoro-N-(2-methoxyphenyl)-5-(2-phenylethylsulfamoyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(2-methoxyphenyl)-5-(2-phenylethylsulfamoyl)benzamide
PubChem CID5070664
Molecular FormulaC22H21FN2O4S
Molecular Weight428.49 g/mol
Exact Mass428.12
IUPAC Name2-fluoro-N-(2-methoxyphenyl)-5-(2-phenylethylsulfamoyl)benzamide
SMILESCOc1ccccc1NC(=O)c1cc(S(=O)(=O)NCCc2ccccc2)ccc1F
InChIInChI=1S/C22H21FN2O4S/c1-29-21-10-6-5-9-20(21)25-22(26)18-15-17(11-12-19(18)23)30(27,28)24-14-13-16-7-3-2-4-8-16/h2-12,15,24H,13-14H2,1H3,(H,25,26)
InChIKeySGUQFOYVEGOVSX-UHFFFAOYSA-N
XLogP3.61
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethoxyphenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide
CID 4609696
N-(5-chloro-2-methoxyphenyl)-5-[2-(4-chlorophenyl)ethylsulfamoyl]-2-fluorobenzamide
CID 4611034
N-(4-chloro-2-fluorophenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide
CID 4125899
N-(3-chloro-2-methylphenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide
CID 15994437
1-(2-methoxyphenyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]urea
CID 17379791
N-(3-chlorophenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide
CID 3348242
5-(benzylsulfamoyl)-N-(5-chloro-2-methoxyphenyl)-2-methylbenzamide
CID 30281901
N-(5-chloro-2-methoxyphenyl)-2-fluoro-5-[(4-fluorophenyl)methylsulfamoyl]benzamide
CID 4079781
N-(2,3-dichlorophenyl)-2-fluoro-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide
CID 3255952
5-(ethylsulfamoyl)-N-(2-fluorophenyl)-2-methoxybenzamide
CID 19257860
5-(benzylsulfamoyl)-N-(2-bromophenyl)-2-fluorobenzamide
CID 4104253
2-fluoro-N-(2-methoxyphenyl)-5-[(2-methylcyclohexyl)sulfamoyl]benzamide
CID 15995932

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-methoxyphenyl)-5-(2-phenylethylsulfamoyl)benzamide?
The IUPAC name of 2-fluoro-N-(2-methoxyphenyl)-5-(2-phenylethylsulfamoyl)benzamide (CID 5070664) is 2-fluoro-N-(2-methoxyphenyl)-5-(2-phenylethylsulfamoyl)benzamide.
What is the SMILES notation for 2-fluoro-N-(2-methoxyphenyl)-5-(2-phenylethylsulfamoyl)benzamide?
The canonical SMILES for 2-fluoro-N-(2-methoxyphenyl)-5-(2-phenylethylsulfamoyl)benzamide is COc1ccccc1NC(=O)c1cc(S(=O)(=O)NCCc2ccccc2)ccc1F.
What is the InChIKey of 2-fluoro-N-(2-methoxyphenyl)-5-(2-phenylethylsulfamoyl)benzamide?
The InChIKey is SGUQFOYVEGOVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O4S/c1-29-21-10-6-5-9-20(21)25-22(26)18-15-17(11-12-19(18)23)30(27,28)24-14-13-16-7-3-2-4-8-16/h2-12,15,24H,13-14H2,1H3,(H,25,26).
What are the key properties of 2-fluoro-N-(2-methoxyphenyl)-5-(2-phenylethylsulfamoyl)benzamide?
2-fluoro-N-(2-methoxyphenyl)-5-(2-phenylethylsulfamoyl)benzamide has a molecular weight of 428.49 g/mol, XLogP of 3.61, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-methoxyphenyl)-5-(2-phenylethylsulfamoyl)benzamide is sourced from PubChem (CID 5070664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).