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

C19H22FNO5S — CID 68863800

IUPACmethyl 3-ethyl-6-[(2-fluorophenyl)sulfonylamino]-2-propoxybenzoate
SMILESCCCOc1c(CC)ccc(NS(=O)(=O)c2ccccc2F)c1C(=O)OC
InChIInChI=1S/C19H22FNO5S/c1-4-12-26-18-13(5-2)10-11-15(17(18)19(22)25-3)21-27(23,24)16-9-7-6-8-14(16)20/h6-11,21H,4-5,12H2,1-3H3
InChIKeyLMCNCAMKABSQKU-UHFFFAOYSA-N
MW395.45 g/mol
LogP3.76
Rot. Bonds8

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

methyl 3-ethyl-6-[(2-fluorophenyl)sulfonylamino]-2-propoxybenzoate (PubChem CID 68863800) has the molecular formula C19H22FNO5S and a molecular weight of 395.45 g/mol. Its IUPAC name is methyl 3-ethyl-6-[(2-fluorophenyl)sulfonylamino]-2-propoxybenzoate.

Molecular Properties

Compound Namemethyl 3-ethyl-6-[(2-fluorophenyl)sulfonylamino]-2-propoxybenzoate
PubChem CID68863800
Molecular FormulaC19H22FNO5S
Molecular Weight395.45 g/mol
Exact Mass395.12
IUPAC Namemethyl 3-ethyl-6-[(2-fluorophenyl)sulfonylamino]-2-propoxybenzoate
SMILESCCCOc1c(CC)ccc(NS(=O)(=O)c2ccccc2F)c1C(=O)OC
InChIInChI=1S/C19H22FNO5S/c1-4-12-26-18-13(5-2)10-11-15(17(18)19(22)25-3)21-27(23,24)16-9-7-6-8-14(16)20/h6-11,21H,4-5,12H2,1-3H3
InChIKeyLMCNCAMKABSQKU-UHFFFAOYSA-N
XLogP3.76
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.45
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-ethyl-6-[(2-fluorophenyl)sulfonylamino]-2-propoxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-ethyl-6-[(2-fluorophenyl)sulfonylamino]-2-propoxybenzoate?
The IUPAC name of methyl 3-ethyl-6-[(2-fluorophenyl)sulfonylamino]-2-propoxybenzoate (CID 68863800) is methyl 3-ethyl-6-[(2-fluorophenyl)sulfonylamino]-2-propoxybenzoate.
What is the SMILES notation for methyl 3-ethyl-6-[(2-fluorophenyl)sulfonylamino]-2-propoxybenzoate?
The canonical SMILES for methyl 3-ethyl-6-[(2-fluorophenyl)sulfonylamino]-2-propoxybenzoate is CCCOc1c(CC)ccc(NS(=O)(=O)c2ccccc2F)c1C(=O)OC.
What is the InChIKey of methyl 3-ethyl-6-[(2-fluorophenyl)sulfonylamino]-2-propoxybenzoate?
The InChIKey is LMCNCAMKABSQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO5S/c1-4-12-26-18-13(5-2)10-11-15(17(18)19(22)25-3)21-27(23,24)16-9-7-6-8-14(16)20/h6-11,21H,4-5,12H2,1-3H3.
What are the key properties of methyl 3-ethyl-6-[(2-fluorophenyl)sulfonylamino]-2-propoxybenzoate?
methyl 3-ethyl-6-[(2-fluorophenyl)sulfonylamino]-2-propoxybenzoate has a molecular weight of 395.45 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-ethyl-6-[(2-fluorophenyl)sulfonylamino]-2-propoxybenzoate is sourced from PubChem (CID 68863800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).