2-(2-aminoethoxy)-6-[[2-[3-(diethylamino)propyl]-4-fluorophenyl]sulfonylamino]-3-ethylbenzoic acid

C24H34FN3O5S — CID 23647780

IUPAC2-(2-aminoethoxy)-6-[[2-[3-(diethylamino)propyl]-4-fluorophenyl]sulfonylamino]-3-ethylbenzoic acid
SMILESCCc1ccc(NS(=O)(=O)c2ccc(F)cc2CCCN(CC)CC)c(C(=O)O)c1OCCN
InChIInChI=1S/C24H34FN3O5S/c1-4-17-9-11-20(22(24(29)30)23(17)33-15-13-26)27-34(31,32)21-12-10-19(25)16-18(21)8-7-14-28(5-2)6-3/h9-12,16,27H,4-8,13-15,26H2,1-3H3,(H,29,30)
InChIKeyJEAAJQWFRRNNSA-UHFFFAOYSA-N
MW495.62 g/mol
LogP3.50
Rot. Bonds14

About 2-(2-aminoethoxy)-6-[[2-[3-(diethylamino)propyl]-4-fluorophenyl]sulfonylamino]-3-ethylbenzoic acid

2-(2-aminoethoxy)-6-[[2-[3-(diethylamino)propyl]-4-fluorophenyl]sulfonylamino]-3-ethylbenzoic acid (PubChem CID 23647780) has the molecular formula C24H34FN3O5S and a molecular weight of 495.62 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-6-[[2-[3-(diethylamino)propyl]-4-fluorophenyl]sulfonylamino]-3-ethylbenzoic acid.

Molecular Properties

Compound Name2-(2-aminoethoxy)-6-[[2-[3-(diethylamino)propyl]-4-fluorophenyl]sulfonylamino]-3-ethylbenzoic acid
PubChem CID23647780
Molecular FormulaC24H34FN3O5S
Molecular Weight495.62 g/mol
Exact Mass495.22
IUPAC Name2-(2-aminoethoxy)-6-[[2-[3-(diethylamino)propyl]-4-fluorophenyl]sulfonylamino]-3-ethylbenzoic acid
SMILESCCc1ccc(NS(=O)(=O)c2ccc(F)cc2CCCN(CC)CC)c(C(=O)O)c1OCCN
InChIInChI=1S/C24H34FN3O5S/c1-4-17-9-11-20(22(24(29)30)23(17)33-15-13-26)27-34(31,32)21-12-10-19(25)16-18(21)8-7-14-28(5-2)6-3/h9-12,16,27H,4-8,13-15,26H2,1-3H3,(H,29,30)
InChIKeyJEAAJQWFRRNNSA-UHFFFAOYSA-N
XLogP3.50
TPSA121.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.62
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-(2-aminoethoxy)-6-[[2-[3-(diethylamino)propyl]-4-fluorophenyl]sulfonylamino]-3-ethylbenzoic acid with MolForge

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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, 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, 19e
CID 23647782
5,6-Disubstituted anthranilic acid sulfonamide, 19g
CID 23647784
5,6-Disubstituted anthranilic acid sulfonamide, 19h
CID 23647785
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)-6-[[2-[3-(diethylamino)propyl]-4-fluorophenyl]sulfonylamino]-3-ethylbenzoic acid?
The IUPAC name of 2-(2-aminoethoxy)-6-[[2-[3-(diethylamino)propyl]-4-fluorophenyl]sulfonylamino]-3-ethylbenzoic acid (CID 23647780) is 2-(2-aminoethoxy)-6-[[2-[3-(diethylamino)propyl]-4-fluorophenyl]sulfonylamino]-3-ethylbenzoic acid.
What is the SMILES notation for 2-(2-aminoethoxy)-6-[[2-[3-(diethylamino)propyl]-4-fluorophenyl]sulfonylamino]-3-ethylbenzoic acid?
The canonical SMILES for 2-(2-aminoethoxy)-6-[[2-[3-(diethylamino)propyl]-4-fluorophenyl]sulfonylamino]-3-ethylbenzoic acid is CCc1ccc(NS(=O)(=O)c2ccc(F)cc2CCCN(CC)CC)c(C(=O)O)c1OCCN.
What is the InChIKey of 2-(2-aminoethoxy)-6-[[2-[3-(diethylamino)propyl]-4-fluorophenyl]sulfonylamino]-3-ethylbenzoic acid?
The InChIKey is JEAAJQWFRRNNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34FN3O5S/c1-4-17-9-11-20(22(24(29)30)23(17)33-15-13-26)27-34(31,32)21-12-10-19(25)16-18(21)8-7-14-28(5-2)6-3/h9-12,16,27H,4-8,13-15,26H2,1-3H3,(H,29,30).
What are the key properties of 2-(2-aminoethoxy)-6-[[2-[3-(diethylamino)propyl]-4-fluorophenyl]sulfonylamino]-3-ethylbenzoic acid?
2-(2-aminoethoxy)-6-[[2-[3-(diethylamino)propyl]-4-fluorophenyl]sulfonylamino]-3-ethylbenzoic acid has a molecular weight of 495.62 g/mol, XLogP of 3.50, 14 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-6-[[2-[3-(diethylamino)propyl]-4-fluorophenyl]sulfonylamino]-3-ethylbenzoic acid is sourced from PubChem (CID 23647780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).