3-(difluoromethoxy)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]benzamide

C17H18F2N2O5S — CID 55948591

IUPAC3-(difluoromethoxy)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]benzamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)c2cccc(OC(F)F)c2)cc1OC
InChIInChI=1S/C17H18F2N2O5S/c1-3-27(23,24)21-14-8-7-12(10-15(14)25-2)20-16(22)11-5-4-6-13(9-11)26-17(18)19/h4-10,17,21H,3H2,1-2H3,(H,20,22)
InChIKeySPGXJRRIIRHCGC-UHFFFAOYSA-N
MW400.40 g/mol
LogP3.31
Rot. Bonds8

About 3-(difluoromethoxy)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]benzamide

3-(difluoromethoxy)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]benzamide (PubChem CID 55948591) has the molecular formula C17H18F2N2O5S and a molecular weight of 400.40 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]benzamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]benzamide
PubChem CID55948591
Molecular FormulaC17H18F2N2O5S
Molecular Weight400.40 g/mol
Exact Mass400.09
IUPAC Name3-(difluoromethoxy)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]benzamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)c2cccc(OC(F)F)c2)cc1OC
InChIInChI=1S/C17H18F2N2O5S/c1-3-27(23,24)21-14-8-7-12(10-15(14)25-2)20-16(22)11-5-4-6-13(9-11)26-17(18)19/h4-10,17,21H,3H2,1-2H3,(H,20,22)
InChIKeySPGXJRRIIRHCGC-UHFFFAOYSA-N
XLogP3.31
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.40
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-3,5-dimethoxybenzamide
CID 55956522
4-chloro-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-3-iodobenzamide
CID 55956275
N-(4-acetamidophenyl)-3-(difluoromethoxy)benzamide
CID 2583008
3-(difluoromethoxy)-N-[4-(4-ethoxyphenoxy)phenyl]benzamide
CID 7925305
N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2,2-diphenylacetamide
CID 60552778
N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(difluoromethoxy)benzamide
CID 26521263
3-(difluoromethoxy)-N-[4-(4-methylphenoxy)phenyl]benzamide
CID 7925214
4-chloro-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-3-nitrobenzamide
CID 155561273
2-(difluoromethylsulfanyl)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]pyridine-3-carboxamide
CID 55947441
N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-[(3-methylphenyl)methoxy]benzamide
CID 37262028
3-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]benzamide
CID 38082386
4-(difluoromethoxy)-N-[3-(methanesulfonamido)-4-methoxyphenyl]-3-methoxybenzamide
CID 37065204

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]benzamide?
The IUPAC name of 3-(difluoromethoxy)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]benzamide (CID 55948591) is 3-(difluoromethoxy)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]benzamide.
What is the SMILES notation for 3-(difluoromethoxy)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]benzamide?
The canonical SMILES for 3-(difluoromethoxy)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]benzamide is CCS(=O)(=O)Nc1ccc(NC(=O)c2cccc(OC(F)F)c2)cc1OC.
What is the InChIKey of 3-(difluoromethoxy)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]benzamide?
The InChIKey is SPGXJRRIIRHCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O5S/c1-3-27(23,24)21-14-8-7-12(10-15(14)25-2)20-16(22)11-5-4-6-13(9-11)26-17(18)19/h4-10,17,21H,3H2,1-2H3,(H,20,22).
What are the key properties of 3-(difluoromethoxy)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]benzamide?
3-(difluoromethoxy)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]benzamide has a molecular weight of 400.40 g/mol, XLogP of 3.31, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]benzamide is sourced from PubChem (CID 55948591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).