[2-(difluoromethoxy)phenyl]methyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate

C19H21F2NO5S — CID 46544000

IUPAC[2-(difluoromethoxy)phenyl]methyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate
SMILESCC(C)N(C)S(=O)(=O)c1cccc(C(=O)OCc2ccccc2OC(F)F)c1
InChIInChI=1S/C19H21F2NO5S/c1-13(2)22(3)28(24,25)16-9-6-8-14(11-16)18(23)26-12-15-7-4-5-10-17(15)27-19(20)21/h4-11,13,19H,12H2,1-3H3
InChIKeyFAYBZEFEJDZZEI-UHFFFAOYSA-N
MW413.44 g/mol
LogP3.67
Rot. Bonds8

About [2-(difluoromethoxy)phenyl]methyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate

[2-(difluoromethoxy)phenyl]methyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate (PubChem CID 46544000) has the molecular formula C19H21F2NO5S and a molecular weight of 413.44 g/mol. Its IUPAC name is [2-(difluoromethoxy)phenyl]methyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate.

Molecular Properties

Compound Name[2-(difluoromethoxy)phenyl]methyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate
PubChem CID46544000
Molecular FormulaC19H21F2NO5S
Molecular Weight413.44 g/mol
Exact Mass413.11
IUPAC Name[2-(difluoromethoxy)phenyl]methyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate
SMILESCC(C)N(C)S(=O)(=O)c1cccc(C(=O)OCc2ccccc2OC(F)F)c1
InChIInChI=1S/C19H21F2NO5S/c1-13(2)22(3)28(24,25)16-9-6-8-14(11-16)18(23)26-12-15-7-4-5-10-17(15)27-19(20)21/h4-11,13,19H,12H2,1-3H3
InChIKeyFAYBZEFEJDZZEI-UHFFFAOYSA-N
XLogP3.67
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.44
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4,5-dimethoxy-2-methylphenyl)methyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate
CID 7753719
2-benzoyloxyethyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate
CID 30547919
(4-methylphenyl)methyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate
CID 7753628
[2-(difluoromethoxy)phenyl]methyl 4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxylate
CID 46544901
2-phenoxyethyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate
CID 7753616
[2-(methylamino)-2-oxoethyl] 3-[methyl(propan-2-yl)sulfamoyl]benzoate
CID 7753650
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate
CID 7753629
N-[(2-methoxyphenyl)methyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 26734370
(2-methylphenyl)methyl 3-(diethylsulfamoyl)benzoate
CID 7970187
[2-(4-ethylphenyl)-2-oxoethyl] 3-[methyl(propan-2-yl)sulfamoyl]benzoate
CID 7753639
(2-cyanophenyl)methyl 3-[methyl(phenyl)sulfamoyl]benzoate
CID 2652331
[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate
CID 55392050

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethoxy)phenyl]methyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate?
The IUPAC name of [2-(difluoromethoxy)phenyl]methyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate (CID 46544000) is [2-(difluoromethoxy)phenyl]methyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate.
What is the SMILES notation for [2-(difluoromethoxy)phenyl]methyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate?
The canonical SMILES for [2-(difluoromethoxy)phenyl]methyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate is CC(C)N(C)S(=O)(=O)c1cccc(C(=O)OCc2ccccc2OC(F)F)c1.
What is the InChIKey of [2-(difluoromethoxy)phenyl]methyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate?
The InChIKey is FAYBZEFEJDZZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2NO5S/c1-13(2)22(3)28(24,25)16-9-6-8-14(11-16)18(23)26-12-15-7-4-5-10-17(15)27-19(20)21/h4-11,13,19H,12H2,1-3H3.
What are the key properties of [2-(difluoromethoxy)phenyl]methyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate?
[2-(difluoromethoxy)phenyl]methyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate has a molecular weight of 413.44 g/mol, XLogP of 3.67, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethoxy)phenyl]methyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate is sourced from PubChem (CID 46544000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).