N,N-diethyl-3-[[3-[(4-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide

C24H24FN3O4S — CID 26712749

IUPACN,N-diethyl-3-[[3-[(4-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)c1
InChIInChI=1S/C24H24FN3O4S/c1-3-28(4-2)24(30)18-8-5-9-21(15-18)26-23(29)17-7-6-10-22(16-17)33(31,32)27-20-13-11-19(25)12-14-20/h5-16,27H,3-4H2,1-2H3,(H,26,29)
InChIKeyAQRFZYAALVEDLR-UHFFFAOYSA-N
MW469.54 g/mol
LogP4.36
Rot. Bonds8

About N,N-diethyl-3-[[3-[(4-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide

N,N-diethyl-3-[[3-[(4-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide (PubChem CID 26712749) has the molecular formula C24H24FN3O4S and a molecular weight of 469.54 g/mol. Its IUPAC name is N,N-diethyl-3-[[3-[(4-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-3-[[3-[(4-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide
PubChem CID26712749
Molecular FormulaC24H24FN3O4S
Molecular Weight469.54 g/mol
Exact Mass469.15
IUPAC NameN,N-diethyl-3-[[3-[(4-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)c1
InChIInChI=1S/C24H24FN3O4S/c1-3-28(4-2)24(30)18-8-5-9-21(15-18)26-23(29)17-7-6-10-22(16-17)33(31,32)27-20-13-11-19(25)12-14-20/h5-16,27H,3-4H2,1-2H3,(H,26,29)
InChIKeyAQRFZYAALVEDLR-UHFFFAOYSA-N
XLogP4.36
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.54
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-3-[(4-fluorophenyl)sulfamoyl]-N-propylbenzamide
CID 86892169
3-[[4-(dimethylamino)phenyl]sulfamoyl]-N,N-diethylbenzamide
CID 109065116
3-[(4-acetylphenyl)sulfamoyl]-N,N-diethylbenzamide
CID 109065110
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 33231642
N-(4-fluorophenyl)-3-[(4-iodophenyl)sulfamoyl]benzamide
CID 1337540
N-(1,3-benzodioxol-5-yl)-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 9313924
3-[(4-fluorophenyl)sulfamoyl]-N-pentylbenzamide
CID 7964289
N-[3-(diethylcarbamoyl)phenyl]-3-(trifluoromethyl)benzamide
CID 17435315
3-[(4-cyanophenyl)sulfamoyl]-N-(4-fluorophenyl)benzamide
CID 109065822
N-[3-(diethylcarbamoyl)phenyl]-3-methylbenzamide
CID 17194507
N-[2-(dimethylamino)-2-oxoethyl]-3-[(4-fluorophenyl)sulfamoyl]-N-methylbenzamide
CID 9227015
3-[[4-(difluoromethylsulfonyl)benzoyl]amino]-N,N-diethylbenzamide
CID 26070782

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[[3-[(4-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide?
The IUPAC name of N,N-diethyl-3-[[3-[(4-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide (CID 26712749) is N,N-diethyl-3-[[3-[(4-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide.
What is the SMILES notation for N,N-diethyl-3-[[3-[(4-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide?
The canonical SMILES for N,N-diethyl-3-[[3-[(4-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide is CCN(CC)C(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)c1.
What is the InChIKey of N,N-diethyl-3-[[3-[(4-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide?
The InChIKey is AQRFZYAALVEDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O4S/c1-3-28(4-2)24(30)18-8-5-9-21(15-18)26-23(29)17-7-6-10-22(16-17)33(31,32)27-20-13-11-19(25)12-14-20/h5-16,27H,3-4H2,1-2H3,(H,26,29).
What are the key properties of N,N-diethyl-3-[[3-[(4-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide?
N,N-diethyl-3-[[3-[(4-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide has a molecular weight of 469.54 g/mol, XLogP of 4.36, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[[3-[(4-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide is sourced from PubChem (CID 26712749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).