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

C19H20FNO5S — CID 68863018

IUPACmethyl 3-ethenyl-6-[(2-fluorophenyl)sulfonylamino]-2-propoxybenzoate
SMILESC=Cc1ccc(NS(=O)(=O)c2ccccc2F)c(C(=O)OC)c1OCCC
InChIInChI=1S/C19H20FNO5S/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/h5-11,21H,2,4,12H2,1,3H3
InChIKeyYXKRHSBFJGZLNU-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.84
Rot. Bonds8

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

methyl 3-ethenyl-6-[(2-fluorophenyl)sulfonylamino]-2-propoxybenzoate (PubChem CID 68863018) has the molecular formula C19H20FNO5S and a molecular weight of 393.44 g/mol. Its IUPAC name is methyl 3-ethenyl-6-[(2-fluorophenyl)sulfonylamino]-2-propoxybenzoate.

Molecular Properties

Compound Namemethyl 3-ethenyl-6-[(2-fluorophenyl)sulfonylamino]-2-propoxybenzoate
PubChem CID68863018
Molecular FormulaC19H20FNO5S
Molecular Weight393.44 g/mol
Exact Mass393.10
IUPAC Namemethyl 3-ethenyl-6-[(2-fluorophenyl)sulfonylamino]-2-propoxybenzoate
SMILESC=Cc1ccc(NS(=O)(=O)c2ccccc2F)c(C(=O)OC)c1OCCC
InChIInChI=1S/C19H20FNO5S/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/h5-11,21H,2,4,12H2,1,3H3
InChIKeyYXKRHSBFJGZLNU-UHFFFAOYSA-N
XLogP3.84
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-Disubstituted anthranilic acid sulfonamide, 9h
CID 23647768
5,6-Disubstituted anthranilic acid sulfonamide, 16a
CID 23647775
2-(2-Aminoethoxy)-3-Ethyl-6-{[(4-Fluorophenyl)sulfonyl]amino}benzoic Acid
CID 23647776
5,6-Disubstituted anthranilic acid sulfonamide, 19a
CID 23647778
5,6-Disubstituted anthranilic acid sulfonamide, 9i
CID 23647769
5,6-Disubstituted anthranilic acid sulfonamide, 19c
CID 23647780
5,6-Disubstituted anthranilic acid sulfonamide, 19g
CID 23647784
2-(2-Azaniumylethoxy)-3-ethyl-6-[(4-fluorophenyl)sulfonylamino]benzoate
CID 44629443
5,6-Disubstituted anthranilic acid sulfonamide, 17b
CID 23647777
Ethyl 2-{[(4-ethoxyphenyl)sulfonyl]amino}benzoate
CID 894308
2-Methoxy-6-[(4-methylphenyl)sulfonylamino]benzoic acid
CID 122220864
2-Fluoro-6-[(4-heptoxyphenyl)sulfonylamino]benzoic acid
CID 169311824

Frequently Asked Questions

What is the IUPAC name of methyl 3-ethenyl-6-[(2-fluorophenyl)sulfonylamino]-2-propoxybenzoate?
The IUPAC name of methyl 3-ethenyl-6-[(2-fluorophenyl)sulfonylamino]-2-propoxybenzoate (CID 68863018) is methyl 3-ethenyl-6-[(2-fluorophenyl)sulfonylamino]-2-propoxybenzoate.
What is the SMILES notation for methyl 3-ethenyl-6-[(2-fluorophenyl)sulfonylamino]-2-propoxybenzoate?
The canonical SMILES for methyl 3-ethenyl-6-[(2-fluorophenyl)sulfonylamino]-2-propoxybenzoate is C=Cc1ccc(NS(=O)(=O)c2ccccc2F)c(C(=O)OC)c1OCCC.
What is the InChIKey of methyl 3-ethenyl-6-[(2-fluorophenyl)sulfonylamino]-2-propoxybenzoate?
The InChIKey is YXKRHSBFJGZLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO5S/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/h5-11,21H,2,4,12H2,1,3H3.
What are the key properties of methyl 3-ethenyl-6-[(2-fluorophenyl)sulfonylamino]-2-propoxybenzoate?
methyl 3-ethenyl-6-[(2-fluorophenyl)sulfonylamino]-2-propoxybenzoate has a molecular weight of 393.44 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-ethenyl-6-[(2-fluorophenyl)sulfonylamino]-2-propoxybenzoate is sourced from PubChem (CID 68863018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).