ethyl 4-(difluoromethoxy)-2-sulfamoylbenzoate

C10H11F2NO5S — CID 19848050

IUPACethyl 4-(difluoromethoxy)-2-sulfamoylbenzoate
SMILESCCOC(=O)c1ccc(OC(F)F)cc1S(N)(=O)=O
InChIInChI=1S/C10H11F2NO5S/c1-2-17-9(14)7-4-3-6(18-10(11)12)5-8(7)19(13,15)16/h3-5,10H,2H2,1H3,(H2,13,15,16)
InChIKeyQHEHPHLUDSWNQW-UHFFFAOYSA-N
MW295.26 g/mol
LogP1.11
Rot. Bonds5

About ethyl 4-(difluoromethoxy)-2-sulfamoylbenzoate

ethyl 4-(difluoromethoxy)-2-sulfamoylbenzoate (PubChem CID 19848050) has the molecular formula C10H11F2NO5S and a molecular weight of 295.26 g/mol. Its IUPAC name is ethyl 4-(difluoromethoxy)-2-sulfamoylbenzoate.

Molecular Properties

Compound Nameethyl 4-(difluoromethoxy)-2-sulfamoylbenzoate
PubChem CID19848050
Molecular FormulaC10H11F2NO5S
Molecular Weight295.26 g/mol
Exact Mass295.03
IUPAC Nameethyl 4-(difluoromethoxy)-2-sulfamoylbenzoate
SMILESCCOC(=O)c1ccc(OC(F)F)cc1S(N)(=O)=O
InChIInChI=1S/C10H11F2NO5S/c1-2-17-9(14)7-4-3-6(18-10(11)12)5-8(7)19(13,15)16/h3-5,10H,2H2,1H3,(H2,13,15,16)
InChIKeyQHEHPHLUDSWNQW-UHFFFAOYSA-N
XLogP1.11
TPSA95.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(difluoromethoxy)-2-sulfamoylbenzoate?
The IUPAC name of ethyl 4-(difluoromethoxy)-2-sulfamoylbenzoate (CID 19848050) is ethyl 4-(difluoromethoxy)-2-sulfamoylbenzoate.
What is the SMILES notation for ethyl 4-(difluoromethoxy)-2-sulfamoylbenzoate?
The canonical SMILES for ethyl 4-(difluoromethoxy)-2-sulfamoylbenzoate is CCOC(=O)c1ccc(OC(F)F)cc1S(N)(=O)=O.
What is the InChIKey of ethyl 4-(difluoromethoxy)-2-sulfamoylbenzoate?
The InChIKey is QHEHPHLUDSWNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO5S/c1-2-17-9(14)7-4-3-6(18-10(11)12)5-8(7)19(13,15)16/h3-5,10H,2H2,1H3,(H2,13,15,16).
What are the key properties of ethyl 4-(difluoromethoxy)-2-sulfamoylbenzoate?
ethyl 4-(difluoromethoxy)-2-sulfamoylbenzoate has a molecular weight of 295.26 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(difluoromethoxy)-2-sulfamoylbenzoate is sourced from PubChem (CID 19848050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).