2-[4-(difluoromethoxy)anilino]-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide

C22H21F2N3O4S — CID 55965688

IUPAC2-[4-(difluoromethoxy)anilino]-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide
SMILESCNS(=O)(=O)c1cccc(CNC(=O)c2ccccc2Nc2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C22H21F2N3O4S/c1-25-32(29,30)18-6-4-5-15(13-18)14-26-21(28)19-7-2-3-8-20(19)27-16-9-11-17(12-10-16)31-22(23)24/h2-13,22,25,27H,14H2,1H3,(H,26,28)
InChIKeyJLTGVQGXCCNALB-UHFFFAOYSA-N
MW461.49 g/mol
LogP3.87
Rot. Bonds9

About 2-[4-(difluoromethoxy)anilino]-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide

2-[4-(difluoromethoxy)anilino]-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide (PubChem CID 55965688) has the molecular formula C22H21F2N3O4S and a molecular weight of 461.49 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)anilino]-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)anilino]-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide
PubChem CID55965688
Molecular FormulaC22H21F2N3O4S
Molecular Weight461.49 g/mol
Exact Mass461.12
IUPAC Name2-[4-(difluoromethoxy)anilino]-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide
SMILESCNS(=O)(=O)c1cccc(CNC(=O)c2ccccc2Nc2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C22H21F2N3O4S/c1-25-32(29,30)18-6-4-5-15(13-18)14-26-21(28)19-7-2-3-8-20(19)27-16-9-11-17(12-10-16)31-22(23)24/h2-13,22,25,27H,14H2,1H3,(H,26,28)
InChIKeyJLTGVQGXCCNALB-UHFFFAOYSA-N
XLogP3.87
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.49
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-methoxybenzoyl)amino]-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide
CID 55656448
N-benzyl-2-[[3-(methylsulfamoyl)benzoyl]amino]benzamide
CID 100620245
2-(N-methylanilino)-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide
CID 55933427
N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-[4-(difluoromethoxy)anilino]benzamide
CID 60557932
2-(4-methoxyanilino)-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide
CID 55857881
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(methylsulfamoyl)benzamide
CID 46612917
2-[4-(difluoromethoxy)anilino]benzoic acid
CID 2398458
N-[[3-(methylsulfamoyl)phenyl]methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 34687096
1-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]indole-3-carboxamide
CID 34640881
4-[[2-[4-(difluoromethoxy)anilino]benzoyl]amino]-2-methylbenzamide
CID 56535734
N-[4-(difluoromethoxy)phenyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 4785775
2-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]benzamide
CID 42006664

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)anilino]-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide?
The IUPAC name of 2-[4-(difluoromethoxy)anilino]-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide (CID 55965688) is 2-[4-(difluoromethoxy)anilino]-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide.
What is the SMILES notation for 2-[4-(difluoromethoxy)anilino]-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide?
The canonical SMILES for 2-[4-(difluoromethoxy)anilino]-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide is CNS(=O)(=O)c1cccc(CNC(=O)c2ccccc2Nc2ccc(OC(F)F)cc2)c1.
What is the InChIKey of 2-[4-(difluoromethoxy)anilino]-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide?
The InChIKey is JLTGVQGXCCNALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N3O4S/c1-25-32(29,30)18-6-4-5-15(13-18)14-26-21(28)19-7-2-3-8-20(19)27-16-9-11-17(12-10-16)31-22(23)24/h2-13,22,25,27H,14H2,1H3,(H,26,28).
What are the key properties of 2-[4-(difluoromethoxy)anilino]-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide?
2-[4-(difluoromethoxy)anilino]-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide has a molecular weight of 461.49 g/mol, XLogP of 3.87, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)anilino]-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide is sourced from PubChem (CID 55965688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).