methyl 2-ethoxy-3-ethyl-6-[(2-fluorophenyl)sulfonylamino]benzoate

C18H20FNO5S — CID 68863398

IUPACmethyl 2-ethoxy-3-ethyl-6-[(2-fluorophenyl)sulfonylamino]benzoate
SMILESCCOc1c(CC)ccc(NS(=O)(=O)c2ccccc2F)c1C(=O)OC
InChIInChI=1S/C18H20FNO5S/c1-4-12-10-11-14(16(18(21)24-3)17(12)25-5-2)20-26(22,23)15-9-7-6-8-13(15)19/h6-11,20H,4-5H2,1-3H3
InChIKeyOZUYMIQDTWLSNT-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.37
Rot. Bonds7

About methyl 2-ethoxy-3-ethyl-6-[(2-fluorophenyl)sulfonylamino]benzoate

methyl 2-ethoxy-3-ethyl-6-[(2-fluorophenyl)sulfonylamino]benzoate (PubChem CID 68863398) has the molecular formula C18H20FNO5S and a molecular weight of 381.43 g/mol. Its IUPAC name is methyl 2-ethoxy-3-ethyl-6-[(2-fluorophenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-ethoxy-3-ethyl-6-[(2-fluorophenyl)sulfonylamino]benzoate
PubChem CID68863398
Molecular FormulaC18H20FNO5S
Molecular Weight381.43 g/mol
Exact Mass381.10
IUPAC Namemethyl 2-ethoxy-3-ethyl-6-[(2-fluorophenyl)sulfonylamino]benzoate
SMILESCCOc1c(CC)ccc(NS(=O)(=O)c2ccccc2F)c1C(=O)OC
InChIInChI=1S/C18H20FNO5S/c1-4-12-10-11-14(16(18(21)24-3)17(12)25-5-2)20-26(22,23)15-9-7-6-8-13(15)19/h6-11,20H,4-5H2,1-3H3
InChIKeyOZUYMIQDTWLSNT-UHFFFAOYSA-N
XLogP3.37
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-ethoxy-3-ethyl-6-[(2-fluorophenyl)sulfonylamino]benzoate?
The IUPAC name of methyl 2-ethoxy-3-ethyl-6-[(2-fluorophenyl)sulfonylamino]benzoate (CID 68863398) is methyl 2-ethoxy-3-ethyl-6-[(2-fluorophenyl)sulfonylamino]benzoate.
What is the SMILES notation for methyl 2-ethoxy-3-ethyl-6-[(2-fluorophenyl)sulfonylamino]benzoate?
The canonical SMILES for methyl 2-ethoxy-3-ethyl-6-[(2-fluorophenyl)sulfonylamino]benzoate is CCOc1c(CC)ccc(NS(=O)(=O)c2ccccc2F)c1C(=O)OC.
What is the InChIKey of methyl 2-ethoxy-3-ethyl-6-[(2-fluorophenyl)sulfonylamino]benzoate?
The InChIKey is OZUYMIQDTWLSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO5S/c1-4-12-10-11-14(16(18(21)24-3)17(12)25-5-2)20-26(22,23)15-9-7-6-8-13(15)19/h6-11,20H,4-5H2,1-3H3.
What are the key properties of methyl 2-ethoxy-3-ethyl-6-[(2-fluorophenyl)sulfonylamino]benzoate?
methyl 2-ethoxy-3-ethyl-6-[(2-fluorophenyl)sulfonylamino]benzoate has a molecular weight of 381.43 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethoxy-3-ethyl-6-[(2-fluorophenyl)sulfonylamino]benzoate is sourced from PubChem (CID 68863398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).