[4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-morpholin-4-yl-5-sulfamoylbenzoate

C20H22F2N2O7S — CID 46818570

IUPAC[4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-morpholin-4-yl-5-sulfamoylbenzoate
SMILESCOc1cc(COC(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)ccc1OC(F)F
InChIInChI=1S/C20H22F2N2O7S/c1-28-18-10-13(2-5-17(18)31-20(21)22)12-30-19(25)15-11-14(32(23,26)27)3-4-16(15)24-6-8-29-9-7-24/h2-5,10-11,20H,6-9,12H2,1H3,(H2,23,26,27)
InChIKeyMCXHDVCXCSCFMY-UHFFFAOYSA-N
MW472.47 g/mol
LogP2.14
Rot. Bonds8

About [4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-morpholin-4-yl-5-sulfamoylbenzoate

[4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-morpholin-4-yl-5-sulfamoylbenzoate (PubChem CID 46818570) has the molecular formula C20H22F2N2O7S and a molecular weight of 472.47 g/mol. Its IUPAC name is [4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-morpholin-4-yl-5-sulfamoylbenzoate.

Molecular Properties

Compound Name[4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-morpholin-4-yl-5-sulfamoylbenzoate
PubChem CID46818570
Molecular FormulaC20H22F2N2O7S
Molecular Weight472.47 g/mol
Exact Mass472.11
IUPAC Name[4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-morpholin-4-yl-5-sulfamoylbenzoate
SMILESCOc1cc(COC(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)ccc1OC(F)F
InChIInChI=1S/C20H22F2N2O7S/c1-28-18-10-13(2-5-17(18)31-20(21)22)12-30-19(25)15-11-14(32(23,26)27)3-4-16(15)24-6-8-29-9-7-24/h2-5,10-11,20H,6-9,12H2,1H3,(H2,23,26,27)
InChIKeyMCXHDVCXCSCFMY-UHFFFAOYSA-N
XLogP2.14
TPSA117.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.47
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(4-propan-2-ylphenyl)methyl 2-morpholin-4-yl-5-sulfamoylbenzoate
CID 46815028
(4-tert-butylphenyl)methyl 2-morpholin-4-yl-5-sulfamoylbenzoate
CID 46815045
[3-(trifluoromethyl)phenyl]methyl 2-morpholin-4-yl-5-sulfamoylbenzoate
CID 46815099
1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2,3-dihydroindole-5-sulfonamide
CID 17414801
[4-(difluoromethoxy)-3-ethoxyphenyl]methyl 4-morpholin-4-ylsulfonylbenzoate
CID 39974757
[4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9133924
(4-carbamoylphenyl)methyl 2-methoxy-5-sulfamoylbenzoate
CID 26961268
2-(2-chlorophenoxy)ethyl 2-morpholin-4-yl-5-sulfamoylbenzoate
CID 46815086
4-O-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 42115193
benzyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate
CID 24687259
[(2R)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 2-morpholin-4-yl-5-sulfamoylbenzoate
CID 30080896
2-[methyl-(2-morpholin-4-yl-5-sulfamoylbenzoyl)amino]propanoic acid
CID 119358812

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-morpholin-4-yl-5-sulfamoylbenzoate?
The IUPAC name of [4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-morpholin-4-yl-5-sulfamoylbenzoate (CID 46818570) is [4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-morpholin-4-yl-5-sulfamoylbenzoate.
What is the SMILES notation for [4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-morpholin-4-yl-5-sulfamoylbenzoate?
The canonical SMILES for [4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-morpholin-4-yl-5-sulfamoylbenzoate is COc1cc(COC(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)ccc1OC(F)F.
What is the InChIKey of [4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-morpholin-4-yl-5-sulfamoylbenzoate?
The InChIKey is MCXHDVCXCSCFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O7S/c1-28-18-10-13(2-5-17(18)31-20(21)22)12-30-19(25)15-11-14(32(23,26)27)3-4-16(15)24-6-8-29-9-7-24/h2-5,10-11,20H,6-9,12H2,1H3,(H2,23,26,27).
What are the key properties of [4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-morpholin-4-yl-5-sulfamoylbenzoate?
[4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-morpholin-4-yl-5-sulfamoylbenzoate has a molecular weight of 472.47 g/mol, XLogP of 2.14, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-morpholin-4-yl-5-sulfamoylbenzoate is sourced from PubChem (CID 46818570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).