3-[(2-fluorophenyl)sulfamoyl]-N-(2-methoxy-5-methylphenyl)benzamide

C21H19FN2O4S — CID 2350153

IUPAC3-[(2-fluorophenyl)sulfamoyl]-N-(2-methoxy-5-methylphenyl)benzamide
SMILESCOc1ccc(C)cc1NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1
InChIInChI=1S/C21H19FN2O4S/c1-14-10-11-20(28-2)19(12-14)23-21(25)15-6-5-7-16(13-15)29(26,27)24-18-9-4-3-8-17(18)22/h3-13,24H,1-2H3,(H,23,25)
InChIKeyLHIXHCIGADWXKB-UHFFFAOYSA-N
MW414.46 g/mol
LogP4.20
Rot. Bonds6

About 3-[(2-fluorophenyl)sulfamoyl]-N-(2-methoxy-5-methylphenyl)benzamide

3-[(2-fluorophenyl)sulfamoyl]-N-(2-methoxy-5-methylphenyl)benzamide (PubChem CID 2350153) has the molecular formula C21H19FN2O4S and a molecular weight of 414.46 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)sulfamoyl]-N-(2-methoxy-5-methylphenyl)benzamide.

Molecular Properties

Compound Name3-[(2-fluorophenyl)sulfamoyl]-N-(2-methoxy-5-methylphenyl)benzamide
PubChem CID2350153
Molecular FormulaC21H19FN2O4S
Molecular Weight414.46 g/mol
Exact Mass414.10
IUPAC Name3-[(2-fluorophenyl)sulfamoyl]-N-(2-methoxy-5-methylphenyl)benzamide
SMILESCOc1ccc(C)cc1NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1
InChIInChI=1S/C21H19FN2O4S/c1-14-10-11-20(28-2)19(12-14)23-21(25)15-6-5-7-16(13-15)29(26,27)24-18-9-4-3-8-17(18)22/h3-13,24H,1-2H3,(H,23,25)
InChIKeyLHIXHCIGADWXKB-UHFFFAOYSA-N
XLogP4.20
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-(2-fluorophenyl)benzamide
CID 26584389
N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26538254
3-[(2-fluorophenyl)sulfamoyl]-N-(3-methylphenyl)benzamide
CID 26537969
3-(tert-butylsulfamoyl)-N-(2-methoxy-5-methylphenyl)benzamide
CID 9098405
N-(2-ethoxyphenyl)-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 37311937
N-(4-fluoro-2-methylphenyl)-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 7980566
N-(2,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 95254693
3-[(2-fluorophenyl)sulfamoyl]-N-(4-iodophenyl)benzamide
CID 42992510
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-(2-ethylphenyl)benzamide
CID 46540697
N-(2,5-dimethoxyphenyl)-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 94788763
3-[(2-fluorophenyl)sulfamoyl]-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 40790769
3-[(2-fluorophenyl)sulfamoyl]-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 40790771

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)sulfamoyl]-N-(2-methoxy-5-methylphenyl)benzamide?
The IUPAC name of 3-[(2-fluorophenyl)sulfamoyl]-N-(2-methoxy-5-methylphenyl)benzamide (CID 2350153) is 3-[(2-fluorophenyl)sulfamoyl]-N-(2-methoxy-5-methylphenyl)benzamide.
What is the SMILES notation for 3-[(2-fluorophenyl)sulfamoyl]-N-(2-methoxy-5-methylphenyl)benzamide?
The canonical SMILES for 3-[(2-fluorophenyl)sulfamoyl]-N-(2-methoxy-5-methylphenyl)benzamide is COc1ccc(C)cc1NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1.
What is the InChIKey of 3-[(2-fluorophenyl)sulfamoyl]-N-(2-methoxy-5-methylphenyl)benzamide?
The InChIKey is LHIXHCIGADWXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O4S/c1-14-10-11-20(28-2)19(12-14)23-21(25)15-6-5-7-16(13-15)29(26,27)24-18-9-4-3-8-17(18)22/h3-13,24H,1-2H3,(H,23,25).
What are the key properties of 3-[(2-fluorophenyl)sulfamoyl]-N-(2-methoxy-5-methylphenyl)benzamide?
3-[(2-fluorophenyl)sulfamoyl]-N-(2-methoxy-5-methylphenyl)benzamide has a molecular weight of 414.46 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)sulfamoyl]-N-(2-methoxy-5-methylphenyl)benzamide is sourced from PubChem (CID 2350153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).