methyl 4-[1-[3-(difluoromethoxy)phenyl]ethylsulfamoyl]benzoate

C17H17F2NO5S — CID 55703531

IUPACmethyl 4-[1-[3-(difluoromethoxy)phenyl]ethylsulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)NC(C)c2cccc(OC(F)F)c2)cc1
InChIInChI=1S/C17H17F2NO5S/c1-11(13-4-3-5-14(10-13)25-17(18)19)20-26(22,23)15-8-6-12(7-9-15)16(21)24-2/h3-11,17,20H,1-2H3
InChIKeyWYXIMBNQKSDFBT-UHFFFAOYSA-N
MW385.39 g/mol
LogP3.11
Rot. Bonds7

About methyl 4-[1-[3-(difluoromethoxy)phenyl]ethylsulfamoyl]benzoate

methyl 4-[1-[3-(difluoromethoxy)phenyl]ethylsulfamoyl]benzoate (PubChem CID 55703531) has the molecular formula C17H17F2NO5S and a molecular weight of 385.39 g/mol. Its IUPAC name is methyl 4-[1-[3-(difluoromethoxy)phenyl]ethylsulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[1-[3-(difluoromethoxy)phenyl]ethylsulfamoyl]benzoate
PubChem CID55703531
Molecular FormulaC17H17F2NO5S
Molecular Weight385.39 g/mol
Exact Mass385.08
IUPAC Namemethyl 4-[1-[3-(difluoromethoxy)phenyl]ethylsulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)NC(C)c2cccc(OC(F)F)c2)cc1
InChIInChI=1S/C17H17F2NO5S/c1-11(13-4-3-5-14(10-13)25-17(18)19)20-26(22,23)15-8-6-12(7-9-15)16(21)24-2/h3-11,17,20H,1-2H3
InChIKeyWYXIMBNQKSDFBT-UHFFFAOYSA-N
XLogP3.11
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetyl-N-[1-[3-(difluoromethoxy)phenyl]ethyl]benzenesulfonamide
CID 55703432
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-fluorobenzenesulfonamide
CID 47034978
2-chloro-N-[1-[3-(difluoromethoxy)phenyl]ethyl]ethanesulfonamide
CID 107651305
N-[1-(3-methoxyphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 3341843
4-ethyl-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 22201289
4-amino-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 61126470
2-bromo-N-[1-[3-(difluoromethoxy)phenyl]ethyl]benzenesulfonamide
CID 47034973
1-acetyl-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,3-dihydroindole-5-sulfonamide
CID 55703530
ethyl 4-[1-(3-acetamidophenyl)ethylsulfamoyl]benzoate
CID 55598192
methyl 4-[[2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetyl]amino]benzoate
CID 126152181
methyl 4-(butan-2-ylsulfamoyl)benzoate
CID 60681168
(3-propan-2-ylphenyl) 4-(difluoromethylsulfonyl)benzoate
CID 8908852

Frequently Asked Questions

What is the IUPAC name of methyl 4-[1-[3-(difluoromethoxy)phenyl]ethylsulfamoyl]benzoate?
The IUPAC name of methyl 4-[1-[3-(difluoromethoxy)phenyl]ethylsulfamoyl]benzoate (CID 55703531) is methyl 4-[1-[3-(difluoromethoxy)phenyl]ethylsulfamoyl]benzoate.
What is the SMILES notation for methyl 4-[1-[3-(difluoromethoxy)phenyl]ethylsulfamoyl]benzoate?
The canonical SMILES for methyl 4-[1-[3-(difluoromethoxy)phenyl]ethylsulfamoyl]benzoate is COC(=O)c1ccc(S(=O)(=O)NC(C)c2cccc(OC(F)F)c2)cc1.
What is the InChIKey of methyl 4-[1-[3-(difluoromethoxy)phenyl]ethylsulfamoyl]benzoate?
The InChIKey is WYXIMBNQKSDFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO5S/c1-11(13-4-3-5-14(10-13)25-17(18)19)20-26(22,23)15-8-6-12(7-9-15)16(21)24-2/h3-11,17,20H,1-2H3.
What are the key properties of methyl 4-[1-[3-(difluoromethoxy)phenyl]ethylsulfamoyl]benzoate?
methyl 4-[1-[3-(difluoromethoxy)phenyl]ethylsulfamoyl]benzoate has a molecular weight of 385.39 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[1-[3-(difluoromethoxy)phenyl]ethylsulfamoyl]benzoate is sourced from PubChem (CID 55703531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).