2-(2-aminoethoxy)-3-ethyl-6-[(4-fluorophenyl)sulfonylamino]benzoic acid

C17H19FN2O5S — CID 23647776

IUPAC2-(2-aminoethoxy)-3-ethyl-6-[(4-fluorophenyl)sulfonylamino]benzoic acid
SMILESCCc1ccc(NS(=O)(=O)c2ccc(F)cc2)c(C(=O)O)c1OCCN
InChIInChI=1S/C17H19FN2O5S/c1-2-11-3-8-14(15(17(21)22)16(11)25-10-9-19)20-26(23,24)13-6-4-12(18)5-7-13/h3-8,20H,2,9-10,19H2,1H3,(H,21,22)
InChIKeyYLNWNNUWISTBAA-UHFFFAOYSA-N
MW382.41 g/mol
LogP2.22
Rot. Bonds8

About 2-(2-aminoethoxy)-3-ethyl-6-[(4-fluorophenyl)sulfonylamino]benzoic acid

2-(2-aminoethoxy)-3-ethyl-6-[(4-fluorophenyl)sulfonylamino]benzoic acid (PubChem CID 23647776) has the molecular formula C17H19FN2O5S and a molecular weight of 382.41 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-3-ethyl-6-[(4-fluorophenyl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name2-(2-aminoethoxy)-3-ethyl-6-[(4-fluorophenyl)sulfonylamino]benzoic acid
PubChem CID23647776
Molecular FormulaC17H19FN2O5S
Molecular Weight382.41 g/mol
Exact Mass382.10
IUPAC Name2-(2-aminoethoxy)-3-ethyl-6-[(4-fluorophenyl)sulfonylamino]benzoic acid
SMILESCCc1ccc(NS(=O)(=O)c2ccc(F)cc2)c(C(=O)O)c1OCCN
InChIInChI=1S/C17H19FN2O5S/c1-2-11-3-8-14(15(17(21)22)16(11)25-10-9-19)20-26(23,24)13-6-4-12(18)5-7-13/h3-8,20H,2,9-10,19H2,1H3,(H,21,22)
InChIKeyYLNWNNUWISTBAA-UHFFFAOYSA-N
XLogP2.22
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 52.22
H-Bond Donors ≤ 53
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
5,6-Disubstituted anthranilic acid sulfonamide, 19a
CID 23647778
5,6-Disubstituted anthranilic acid sulfonamide, 19d
CID 23647781
5,6-Disubstituted anthranilic acid sulfonamide, 19f
CID 23647783
5,6-Disubstituted anthranilic acid sulfonamide, 19i
CID 17748229
5,6-Disubstituted anthranilic acid sulfonamide, 9i
CID 23647769
5,6-Disubstituted anthranilic acid sulfonamide, 19c
CID 23647780
5,6-Disubstituted anthranilic acid sulfonamide, 19e
CID 23647782
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

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-3-ethyl-6-[(4-fluorophenyl)sulfonylamino]benzoic acid?
The IUPAC name of 2-(2-aminoethoxy)-3-ethyl-6-[(4-fluorophenyl)sulfonylamino]benzoic acid (CID 23647776) is 2-(2-aminoethoxy)-3-ethyl-6-[(4-fluorophenyl)sulfonylamino]benzoic acid.
What is the SMILES notation for 2-(2-aminoethoxy)-3-ethyl-6-[(4-fluorophenyl)sulfonylamino]benzoic acid?
The canonical SMILES for 2-(2-aminoethoxy)-3-ethyl-6-[(4-fluorophenyl)sulfonylamino]benzoic acid is CCc1ccc(NS(=O)(=O)c2ccc(F)cc2)c(C(=O)O)c1OCCN.
What is the InChIKey of 2-(2-aminoethoxy)-3-ethyl-6-[(4-fluorophenyl)sulfonylamino]benzoic acid?
The InChIKey is YLNWNNUWISTBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O5S/c1-2-11-3-8-14(15(17(21)22)16(11)25-10-9-19)20-26(23,24)13-6-4-12(18)5-7-13/h3-8,20H,2,9-10,19H2,1H3,(H,21,22).
What are the key properties of 2-(2-aminoethoxy)-3-ethyl-6-[(4-fluorophenyl)sulfonylamino]benzoic acid?
2-(2-aminoethoxy)-3-ethyl-6-[(4-fluorophenyl)sulfonylamino]benzoic acid has a molecular weight of 382.41 g/mol, XLogP of 2.22, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-3-ethyl-6-[(4-fluorophenyl)sulfonylamino]benzoic acid is sourced from PubChem (CID 23647776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).