4-(benzenesulfonamido)-N-[[2-(difluoromethoxy)phenyl]methyl]benzamide

C21H18F2N2O4S — CID 30254086

IUPAC4-(benzenesulfonamido)-N-[[2-(difluoromethoxy)phenyl]methyl]benzamide
SMILESO=C(NCc1ccccc1OC(F)F)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C21H18F2N2O4S/c22-21(23)29-19-9-5-4-6-16(19)14-24-20(26)15-10-12-17(13-11-15)25-30(27,28)18-7-2-1-3-8-18/h1-13,21,25H,14H2,(H,24,26)
InChIKeyJIKXZCIYZDPXER-UHFFFAOYSA-N
MW432.45 g/mol
LogP4.02
Rot. Bonds8

About 4-(benzenesulfonamido)-N-[[2-(difluoromethoxy)phenyl]methyl]benzamide

4-(benzenesulfonamido)-N-[[2-(difluoromethoxy)phenyl]methyl]benzamide (PubChem CID 30254086) has the molecular formula C21H18F2N2O4S and a molecular weight of 432.45 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-N-[[2-(difluoromethoxy)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-N-[[2-(difluoromethoxy)phenyl]methyl]benzamide
PubChem CID30254086
Molecular FormulaC21H18F2N2O4S
Molecular Weight432.45 g/mol
Exact Mass432.10
IUPAC Name4-(benzenesulfonamido)-N-[[2-(difluoromethoxy)phenyl]methyl]benzamide
SMILESO=C(NCc1ccccc1OC(F)F)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C21H18F2N2O4S/c22-21(23)29-19-9-5-4-6-16(19)14-24-20(26)15-10-12-17(13-11-15)25-30(27,28)18-7-2-1-3-8-18/h1-13,21,25H,14H2,(H,24,26)
InChIKeyJIKXZCIYZDPXER-UHFFFAOYSA-N
XLogP4.02
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.45
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzamido-N-[[2-(difluoromethoxy)phenyl]methyl]benzamide
CID 24659050
4-[(4-methoxyphenyl)sulfamoyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 24560631
4-[(4-ethoxyphenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 26775955
3-(cyclopentylsulfamoyl)-N-[[2-(difluoromethoxy)phenyl]methyl]benzamide
CID 46588506
N-[2-(difluoromethoxy)phenyl]-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 37312010
4-[(3,4-dimethylphenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 26775951
3-(benzenesulfonamido)-N-[(2-methoxyphenyl)methyl]benzamide
CID 9164278
4-(benzenesulfonamido)-N-(furan-2-ylmethyl)benzamide
CID 2982615
4-(methanesulfonamido)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 41479006
4-[(2-fluorophenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 9246337
N-[(2-methoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 15997618
N-[[2-(difluoromethoxy)phenyl]methyl]-4-fluoro-3-(prop-2-enylsulfamoyl)benzamide
CID 55596596

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-N-[[2-(difluoromethoxy)phenyl]methyl]benzamide?
The IUPAC name of 4-(benzenesulfonamido)-N-[[2-(difluoromethoxy)phenyl]methyl]benzamide (CID 30254086) is 4-(benzenesulfonamido)-N-[[2-(difluoromethoxy)phenyl]methyl]benzamide.
What is the SMILES notation for 4-(benzenesulfonamido)-N-[[2-(difluoromethoxy)phenyl]methyl]benzamide?
The canonical SMILES for 4-(benzenesulfonamido)-N-[[2-(difluoromethoxy)phenyl]methyl]benzamide is O=C(NCc1ccccc1OC(F)F)c1ccc(NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 4-(benzenesulfonamido)-N-[[2-(difluoromethoxy)phenyl]methyl]benzamide?
The InChIKey is JIKXZCIYZDPXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N2O4S/c22-21(23)29-19-9-5-4-6-16(19)14-24-20(26)15-10-12-17(13-11-15)25-30(27,28)18-7-2-1-3-8-18/h1-13,21,25H,14H2,(H,24,26).
What are the key properties of 4-(benzenesulfonamido)-N-[[2-(difluoromethoxy)phenyl]methyl]benzamide?
4-(benzenesulfonamido)-N-[[2-(difluoromethoxy)phenyl]methyl]benzamide has a molecular weight of 432.45 g/mol, XLogP of 4.02, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamido)-N-[[2-(difluoromethoxy)phenyl]methyl]benzamide is sourced from PubChem (CID 30254086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).