2,4-difluoro-5-[[4-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide

C20H14F3N3O4S — CID 56573065

IUPAC2,4-difluoro-5-[[4-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide
SMILESNC(=O)c1cc(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3F)cc2)c(F)cc1F
InChIInChI=1S/C20H14F3N3O4S/c21-14-3-1-2-4-17(14)26-31(29,30)12-7-5-11(6-8-12)20(28)25-18-9-13(19(24)27)15(22)10-16(18)23/h1-10,26H,(H2,24,27)(H,25,28)
InChIKeyWCJSHFRCOBLMLM-UHFFFAOYSA-N
MW449.41 g/mol
LogP3.26
Rot. Bonds6

About 2,4-difluoro-5-[[4-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide

2,4-difluoro-5-[[4-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide (PubChem CID 56573065) has the molecular formula C20H14F3N3O4S and a molecular weight of 449.41 g/mol. Its IUPAC name is 2,4-difluoro-5-[[4-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide.

Molecular Properties

Compound Name2,4-difluoro-5-[[4-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide
PubChem CID56573065
Molecular FormulaC20H14F3N3O4S
Molecular Weight449.41 g/mol
Exact Mass449.07
IUPAC Name2,4-difluoro-5-[[4-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide
SMILESNC(=O)c1cc(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3F)cc2)c(F)cc1F
InChIInChI=1S/C20H14F3N3O4S/c21-14-3-1-2-4-17(14)26-31(29,30)12-7-5-11(6-8-12)20(28)25-18-9-13(19(24)27)15(22)10-16(18)23/h1-10,26H,(H2,24,27)(H,25,28)
InChIKeyWCJSHFRCOBLMLM-UHFFFAOYSA-N
XLogP3.26
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.41
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-[[4-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide
CID 36525049
N-[2-(difluoromethoxy)phenyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide
CID 2353818
4-[(2,6-dimethylphenyl)sulfamoyl]-N-(2-fluorophenyl)benzamide
CID 109061758
N-(2-fluorophenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 24592548
[4-[(2-fluorophenyl)sulfamoyl]phenyl]thiourea
CID 169358585
N-(4-cyanophenyl)-4-[(2-fluorophenyl)sulfamoyl]benzamide
CID 26699329
5-[[3-(cyclopentylsulfamoyl)benzoyl]amino]-2,4-difluorobenzamide
CID 56570757
3-chloro-N-[2-fluoro-4-[(2-fluorophenyl)sulfamoyl]phenyl]benzamide
CID 18892781
4-[(2-fluorophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 37064232
4-[(2-fluorophenyl)sulfamoyl]-N-(3-methylbutan-2-yl)benzamide
CID 46651101
3-fluoro-N-[2-[[4-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]ethyl]-4-methylbenzamide
CID 24666950
2-[[4-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzamide
CID 53279919

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-5-[[4-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide?
The IUPAC name of 2,4-difluoro-5-[[4-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide (CID 56573065) is 2,4-difluoro-5-[[4-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide.
What is the SMILES notation for 2,4-difluoro-5-[[4-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide?
The canonical SMILES for 2,4-difluoro-5-[[4-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide is NC(=O)c1cc(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3F)cc2)c(F)cc1F.
What is the InChIKey of 2,4-difluoro-5-[[4-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide?
The InChIKey is WCJSHFRCOBLMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3O4S/c21-14-3-1-2-4-17(14)26-31(29,30)12-7-5-11(6-8-12)20(28)25-18-9-13(19(24)27)15(22)10-16(18)23/h1-10,26H,(H2,24,27)(H,25,28).
What are the key properties of 2,4-difluoro-5-[[4-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide?
2,4-difluoro-5-[[4-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide has a molecular weight of 449.41 g/mol, XLogP of 3.26, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-5-[[4-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide is sourced from PubChem (CID 56573065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).