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

C16H16FNO5S — CID 23647768

IUPAC3-ethyl-6-[(4-fluorophenyl)sulfonylamino]-2-methoxybenzoic acid
SMILESCCc1ccc(NS(=O)(=O)c2ccc(F)cc2)c(C(=O)O)c1OC
InChIInChI=1S/C16H16FNO5S/c1-3-10-4-9-13(14(16(19)20)15(10)23-2)18-24(21,22)12-7-5-11(17)6-8-12/h4-9,18H,3H2,1-2H3,(H,19,20)
InChIKeyGIQOHHPCEJVZLQ-UHFFFAOYSA-N
MW353.37 g/mol
LogP2.90
Rot. Bonds6

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

3-ethyl-6-[(4-fluorophenyl)sulfonylamino]-2-methoxybenzoic acid (PubChem CID 23647768) has the molecular formula C16H16FNO5S and a molecular weight of 353.37 g/mol. Its IUPAC name is 3-ethyl-6-[(4-fluorophenyl)sulfonylamino]-2-methoxybenzoic acid.

Molecular Properties

Compound Name3-ethyl-6-[(4-fluorophenyl)sulfonylamino]-2-methoxybenzoic acid
PubChem CID23647768
Molecular FormulaC16H16FNO5S
Molecular Weight353.37 g/mol
Exact Mass353.07
IUPAC Name3-ethyl-6-[(4-fluorophenyl)sulfonylamino]-2-methoxybenzoic acid
SMILESCCc1ccc(NS(=O)(=O)c2ccc(F)cc2)c(C(=O)O)c1OC
InChIInChI=1S/C16H16FNO5S/c1-3-10-4-9-13(14(16(19)20)15(10)23-2)18-24(21,22)12-7-5-11(17)6-8-12/h4-9,18H,3H2,1-2H3,(H,19,20)
InChIKeyGIQOHHPCEJVZLQ-UHFFFAOYSA-N
XLogP2.90
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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, 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
2-[4-Methoxy-3-[2-[(4-methylphenyl)sulfonylamino]benzoyl]phenyl]acetic acid
CID 59644621

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-[(4-fluorophenyl)sulfonylamino]-2-methoxybenzoic acid?
The IUPAC name of 3-ethyl-6-[(4-fluorophenyl)sulfonylamino]-2-methoxybenzoic acid (CID 23647768) is 3-ethyl-6-[(4-fluorophenyl)sulfonylamino]-2-methoxybenzoic acid.
What is the SMILES notation for 3-ethyl-6-[(4-fluorophenyl)sulfonylamino]-2-methoxybenzoic acid?
The canonical SMILES for 3-ethyl-6-[(4-fluorophenyl)sulfonylamino]-2-methoxybenzoic acid is CCc1ccc(NS(=O)(=O)c2ccc(F)cc2)c(C(=O)O)c1OC.
What is the InChIKey of 3-ethyl-6-[(4-fluorophenyl)sulfonylamino]-2-methoxybenzoic acid?
The InChIKey is GIQOHHPCEJVZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO5S/c1-3-10-4-9-13(14(16(19)20)15(10)23-2)18-24(21,22)12-7-5-11(17)6-8-12/h4-9,18H,3H2,1-2H3,(H,19,20).
What are the key properties of 3-ethyl-6-[(4-fluorophenyl)sulfonylamino]-2-methoxybenzoic acid?
3-ethyl-6-[(4-fluorophenyl)sulfonylamino]-2-methoxybenzoic acid has a molecular weight of 353.37 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-[(4-fluorophenyl)sulfonylamino]-2-methoxybenzoic acid is sourced from PubChem (CID 23647768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).