4-[(3,4-dichlorophenoxy)methyl]-2,5-difluoro-N-methylsulfonylbenzamide

C15H11Cl2F2NO4S — CID 66667669

IUPAC4-[(3,4-dichlorophenoxy)methyl]-2,5-difluoro-N-methylsulfonylbenzamide
SMILESCS(=O)(=O)NC(=O)c1cc(F)c(COc2ccc(Cl)c(Cl)c2)cc1F
InChIInChI=1S/C15H11Cl2F2NO4S/c1-25(22,23)20-15(21)10-6-13(18)8(4-14(10)19)7-24-9-2-3-11(16)12(17)5-9/h2-6H,7H2,1H3,(H,20,21)
InChIKeyRQIRAWYTRPXHHW-UHFFFAOYSA-N
MW410.23 g/mol
LogP3.54
Rot. Bonds5

About 4-[(3,4-dichlorophenoxy)methyl]-2,5-difluoro-N-methylsulfonylbenzamide

4-[(3,4-dichlorophenoxy)methyl]-2,5-difluoro-N-methylsulfonylbenzamide (PubChem CID 66667669) has the molecular formula C15H11Cl2F2NO4S and a molecular weight of 410.23 g/mol. Its IUPAC name is 4-[(3,4-dichlorophenoxy)methyl]-2,5-difluoro-N-methylsulfonylbenzamide.

Molecular Properties

Compound Name4-[(3,4-dichlorophenoxy)methyl]-2,5-difluoro-N-methylsulfonylbenzamide
PubChem CID66667669
Molecular FormulaC15H11Cl2F2NO4S
Molecular Weight410.23 g/mol
Exact Mass408.98
IUPAC Name4-[(3,4-dichlorophenoxy)methyl]-2,5-difluoro-N-methylsulfonylbenzamide
SMILESCS(=O)(=O)NC(=O)c1cc(F)c(COc2ccc(Cl)c(Cl)c2)cc1F
InChIInChI=1S/C15H11Cl2F2NO4S/c1-25(22,23)20-15(21)10-6-13(18)8(4-14(10)19)7-24-9-2-3-11(16)12(17)5-9/h2-6H,7H2,1H3,(H,20,21)
InChIKeyRQIRAWYTRPXHHW-UHFFFAOYSA-N
XLogP3.54
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.23
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-chloro-6-fluoro-3-pyridinyl)oxymethyl]-2,5-difluoro-N-methylsulfonylbenzamide
CID 56644572
4-[[4-chloro-3-(trifluoromethyl)phenoxy]methyl]-N-(dimethylsulfamoyl)-2,5-difluorobenzamide
CID 71616023
5-chloro-4-[(3-chloro-4-methylphenoxy)methyl]-2-fluorobenzoic acid
CID 118501542
5-chloro-4-[[5-chloro-6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]oxy]-2-fluoro-N-methylsulfonylbenzamide
CID 58042409
methyl 1-[2-chloro-5-fluoro-4-(methylsulfonylcarbamoyl)phenyl]-6-phenylmethoxyindazole-3-carboxylate
CID 122458775
5-chloro-4-[3-chloro-5-(2-methylpropoxy)indazol-1-yl]-2-fluoro-N-methylsulfonylbenzamide
CID 122458711
4-(3-chloro-4-fluorophenoxy)-N-methylsulfonylbenzamide
CID 66767262
5-cyclopropyl-4-[[1-[(3,4-dichlorophenyl)methyl]-4-fluoropiperidin-4-yl]methoxymethyl]-2-fluoro-N-methylsulfonylbenzamide
CID 138516634
4-[4-chloro-3-(trifluoromethyl)phenoxy]-2-fluoro-5-methyl-N-methylsulfonylbenzamide
CID 56592533
2,5-difluoro-4-[(6-methoxy-3-pyridinyl)oxy]-N-methylsulfonylbenzamide
CID 66666992
4-(3-chlorophenoxy)-2,5-difluoro-N-methylsulfonylbenzamide
CID 66767003
4-(2,3-dichlorophenoxy)-2,5-difluoro-N-methylsulfonylbenzamide
CID 66667432

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dichlorophenoxy)methyl]-2,5-difluoro-N-methylsulfonylbenzamide?
The IUPAC name of 4-[(3,4-dichlorophenoxy)methyl]-2,5-difluoro-N-methylsulfonylbenzamide (CID 66667669) is 4-[(3,4-dichlorophenoxy)methyl]-2,5-difluoro-N-methylsulfonylbenzamide.
What is the SMILES notation for 4-[(3,4-dichlorophenoxy)methyl]-2,5-difluoro-N-methylsulfonylbenzamide?
The canonical SMILES for 4-[(3,4-dichlorophenoxy)methyl]-2,5-difluoro-N-methylsulfonylbenzamide is CS(=O)(=O)NC(=O)c1cc(F)c(COc2ccc(Cl)c(Cl)c2)cc1F.
What is the InChIKey of 4-[(3,4-dichlorophenoxy)methyl]-2,5-difluoro-N-methylsulfonylbenzamide?
The InChIKey is RQIRAWYTRPXHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2F2NO4S/c1-25(22,23)20-15(21)10-6-13(18)8(4-14(10)19)7-24-9-2-3-11(16)12(17)5-9/h2-6H,7H2,1H3,(H,20,21).
What are the key properties of 4-[(3,4-dichlorophenoxy)methyl]-2,5-difluoro-N-methylsulfonylbenzamide?
4-[(3,4-dichlorophenoxy)methyl]-2,5-difluoro-N-methylsulfonylbenzamide has a molecular weight of 410.23 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dichlorophenoxy)methyl]-2,5-difluoro-N-methylsulfonylbenzamide is sourced from PubChem (CID 66667669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).