N-ethyl-3-[[3-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide

C22H20FN3O4S — CID 55406945

IUPACN-ethyl-3-[[3-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide
SMILESCCNC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)c1
InChIInChI=1S/C22H20FN3O4S/c1-2-24-21(27)15-7-5-9-17(13-15)25-22(28)16-8-6-10-18(14-16)31(29,30)26-20-12-4-3-11-19(20)23/h3-14,26H,2H2,1H3,(H,24,27)(H,25,28)
InChIKeyHPSOEALWBHLOSK-UHFFFAOYSA-N
MW441.48 g/mol
LogP3.63
Rot. Bonds7

About N-ethyl-3-[[3-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide

N-ethyl-3-[[3-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide (PubChem CID 55406945) has the molecular formula C22H20FN3O4S and a molecular weight of 441.48 g/mol. Its IUPAC name is N-ethyl-3-[[3-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-ethyl-3-[[3-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide
PubChem CID55406945
Molecular FormulaC22H20FN3O4S
Molecular Weight441.48 g/mol
Exact Mass441.12
IUPAC NameN-ethyl-3-[[3-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide
SMILESCCNC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)c1
InChIInChI=1S/C22H20FN3O4S/c1-2-24-21(27)15-7-5-9-17(13-15)25-22(28)16-8-6-10-18(14-16)31(29,30)26-20-12-4-3-11-19(20)23/h3-14,26H,2H2,1H3,(H,24,27)(H,25,28)
InChIKeyHPSOEALWBHLOSK-UHFFFAOYSA-N
XLogP3.63
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.48
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-fluorophenyl)sulfamoyl]-N-(3-methylphenyl)benzamide
CID 26537969
N-[2-(ethylamino)-2-oxoethyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 18145874
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 30859962
3-[(2-fluorophenyl)sulfamoyl]-N-(4-iodophenyl)benzamide
CID 42992510
N-(2-ethoxyphenyl)-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 37311937
N-[4-(2-amino-2-oxoethyl)phenyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 31855089
N-[3-(dimethylamino)propyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 109064246
N-ethyl-3-[[3-(prop-2-ynylsulfamoyl)benzoyl]amino]benzamide
CID 46524259
N-[4-(ethylcarbamoyl)phenyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
CID 55816215
N-(4-fluoro-2-methylphenyl)-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 7980566
N-[(3-fluoro-4-methylphenyl)methyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 34485319
N-ethyl-3-[[3-(methanesulfonamido)benzoyl]amino]benzamide
CID 18151214

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[[3-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide?
The IUPAC name of N-ethyl-3-[[3-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide (CID 55406945) is N-ethyl-3-[[3-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide.
What is the SMILES notation for N-ethyl-3-[[3-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide?
The canonical SMILES for N-ethyl-3-[[3-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide is CCNC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)c1.
What is the InChIKey of N-ethyl-3-[[3-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide?
The InChIKey is HPSOEALWBHLOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O4S/c1-2-24-21(27)15-7-5-9-17(13-15)25-22(28)16-8-6-10-18(14-16)31(29,30)26-20-12-4-3-11-19(20)23/h3-14,26H,2H2,1H3,(H,24,27)(H,25,28).
What are the key properties of N-ethyl-3-[[3-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide?
N-ethyl-3-[[3-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide has a molecular weight of 441.48 g/mol, XLogP of 3.63, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[[3-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide is sourced from PubChem (CID 55406945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).