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

C17H18FNO5S — CID 23647775

IUPAC2-ethoxy-3-ethyl-6-[(4-fluorophenyl)sulfonylamino]benzoic acid
SMILESCCOc1c(CC)ccc(NS(=O)(=O)c2ccc(F)cc2)c1C(=O)O
InChIInChI=1S/C17H18FNO5S/c1-3-11-5-10-14(15(17(20)21)16(11)24-4-2)19-25(22,23)13-8-6-12(18)7-9-13/h5-10,19H,3-4H2,1-2H3,(H,20,21)
InChIKeyJGGAEBBDBSPMTR-UHFFFAOYSA-N
MW367.40 g/mol
LogP3.29
Rot. Bonds7

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

2-ethoxy-3-ethyl-6-[(4-fluorophenyl)sulfonylamino]benzoic acid (PubChem CID 23647775) has the molecular formula C17H18FNO5S and a molecular weight of 367.40 g/mol. Its IUPAC name is 2-ethoxy-3-ethyl-6-[(4-fluorophenyl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name2-ethoxy-3-ethyl-6-[(4-fluorophenyl)sulfonylamino]benzoic acid
PubChem CID23647775
Molecular FormulaC17H18FNO5S
Molecular Weight367.40 g/mol
Exact Mass367.09
IUPAC Name2-ethoxy-3-ethyl-6-[(4-fluorophenyl)sulfonylamino]benzoic acid
SMILESCCOc1c(CC)ccc(NS(=O)(=O)c2ccc(F)cc2)c1C(=O)O
InChIInChI=1S/C17H18FNO5S/c1-3-11-5-10-14(15(17(20)21)16(11)24-4-2)19-25(22,23)13-8-6-12(18)7-9-13/h5-10,19H,3-4H2,1-2H3,(H,20,21)
InChIKeyJGGAEBBDBSPMTR-UHFFFAOYSA-N
XLogP3.29
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-Disubstituted anthranilic acid sulfonamide, 9h
CID 23647768
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, 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, 9j
CID 23647770
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

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-ethyl-6-[(4-fluorophenyl)sulfonylamino]benzoic acid?
The IUPAC name of 2-ethoxy-3-ethyl-6-[(4-fluorophenyl)sulfonylamino]benzoic acid (CID 23647775) is 2-ethoxy-3-ethyl-6-[(4-fluorophenyl)sulfonylamino]benzoic acid.
What is the SMILES notation for 2-ethoxy-3-ethyl-6-[(4-fluorophenyl)sulfonylamino]benzoic acid?
The canonical SMILES for 2-ethoxy-3-ethyl-6-[(4-fluorophenyl)sulfonylamino]benzoic acid is CCOc1c(CC)ccc(NS(=O)(=O)c2ccc(F)cc2)c1C(=O)O.
What is the InChIKey of 2-ethoxy-3-ethyl-6-[(4-fluorophenyl)sulfonylamino]benzoic acid?
The InChIKey is JGGAEBBDBSPMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO5S/c1-3-11-5-10-14(15(17(20)21)16(11)24-4-2)19-25(22,23)13-8-6-12(18)7-9-13/h5-10,19H,3-4H2,1-2H3,(H,20,21).
What are the key properties of 2-ethoxy-3-ethyl-6-[(4-fluorophenyl)sulfonylamino]benzoic acid?
2-ethoxy-3-ethyl-6-[(4-fluorophenyl)sulfonylamino]benzoic acid has a molecular weight of 367.40 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-ethyl-6-[(4-fluorophenyl)sulfonylamino]benzoic acid is sourced from PubChem (CID 23647775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).