[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate

C18H18F2N2O6S — CID 2399399

IUPAC[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ccccc2OC(F)F)c1
InChIInChI=1S/C18H18F2N2O6S/c1-22(2)29(25,26)13-7-5-6-12(10-13)17(24)27-11-16(23)21-14-8-3-4-9-15(14)28-18(19)20/h3-10,18H,11H2,1-2H3,(H,21,23)
InChIKeyYJSWQMCOWXEMAK-UHFFFAOYSA-N
MW428.41 g/mol
LogP2.33
Rot. Bonds8

About [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate

[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate (PubChem CID 2399399) has the molecular formula C18H18F2N2O6S and a molecular weight of 428.41 g/mol. Its IUPAC name is [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate
PubChem CID2399399
Molecular FormulaC18H18F2N2O6S
Molecular Weight428.41 g/mol
Exact Mass428.09
IUPAC Name[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ccccc2OC(F)F)c1
InChIInChI=1S/C18H18F2N2O6S/c1-22(2)29(25,26)13-7-5-6-12(10-13)17(24)27-11-16(23)21-14-8-3-4-9-15(14)28-18(19)20/h3-10,18H,11H2,1-2H3,(H,21,23)
InChIKeyYJSWQMCOWXEMAK-UHFFFAOYSA-N
XLogP2.33
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.41
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyphenyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2083341
3-(Benzyl(2-methoxyphenyl)sulfamoyl)benzoic acid
CID 2396426
N-(2-methoxy-5-{[(tetrahydro-2-furanylmethyl)amino]sulfonyl}phenyl)benzamide
CID 2987883
3-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-(2-methoxyphenyl)propanamide
CID 1317129
[2-(2,4-Difluoroanilino)-2-oxoethyl] 2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzoate
CID 2123466
N-(2-ethoxyphenyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 2463208
Ethyl 2-[[2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetyl]amino]benzoate
CID 2513657
T5247935
CID 5216904
4-(dimethylsulfamoyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide
CID 1277944
4-(dipropylsulfamoyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide
CID 2917766
4-(diethylsulfamoyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide
CID 2926629
N-(2-ethoxyphenyl)-4-methyl-3-{[(4-methylphenyl)amino]sulfonyl}benzamide
CID 1266608

Frequently Asked Questions

What is the IUPAC name of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate?
The IUPAC name of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate (CID 2399399) is [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate.
What is the SMILES notation for [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate?
The canonical SMILES for [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate is CN(C)S(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ccccc2OC(F)F)c1.
What is the InChIKey of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate?
The InChIKey is YJSWQMCOWXEMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O6S/c1-22(2)29(25,26)13-7-5-6-12(10-13)17(24)27-11-16(23)21-14-8-3-4-9-15(14)28-18(19)20/h3-10,18H,11H2,1-2H3,(H,21,23).
What are the key properties of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate?
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate has a molecular weight of 428.41 g/mol, XLogP of 2.33, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate is sourced from PubChem (CID 2399399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).