2-[(4-ethoxyphenyl)sulfonylamino]-4,5-dimethoxybenzoic acid

C17H19NO7S — CID 2082583

IUPAC2-[(4-ethoxyphenyl)sulfonylamino]-4,5-dimethoxybenzoic acid
SMILESCCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2C(=O)O)cc1
InChIInChI=1S/C17H19NO7S/c1-4-25-11-5-7-12(8-6-11)26(21,22)18-14-10-16(24-3)15(23-2)9-13(14)17(19)20/h5-10,18H,4H2,1-3H3,(H,19,20)
InChIKeyLQXXAYVTSBKCEQ-UHFFFAOYSA-N
MW381.41 g/mol
LogP2.60
Rot. Bonds8

About 2-[(4-ethoxyphenyl)sulfonylamino]-4,5-dimethoxybenzoic acid

2-[(4-ethoxyphenyl)sulfonylamino]-4,5-dimethoxybenzoic acid (PubChem CID 2082583) has the molecular formula C17H19NO7S and a molecular weight of 381.41 g/mol. Its IUPAC name is 2-[(4-ethoxyphenyl)sulfonylamino]-4,5-dimethoxybenzoic acid.

Molecular Properties

Compound Name2-[(4-ethoxyphenyl)sulfonylamino]-4,5-dimethoxybenzoic acid
PubChem CID2082583
Molecular FormulaC17H19NO7S
Molecular Weight381.41 g/mol
Exact Mass381.09
IUPAC Name2-[(4-ethoxyphenyl)sulfonylamino]-4,5-dimethoxybenzoic acid
SMILESCCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2C(=O)O)cc1
InChIInChI=1S/C17H19NO7S/c1-4-25-11-5-7-12(8-6-11)26(21,22)18-14-10-16(24-3)15(23-2)9-13(14)17(19)20/h5-10,18H,4H2,1-3H3,(H,19,20)
InChIKeyLQXXAYVTSBKCEQ-UHFFFAOYSA-N
XLogP2.60
TPSA111.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4,5-Dimethoxyanthranilic acid
CID 79736
2-Amino-5-ethoxy-4-methoxybenzoic acid
CID 4962862
4-(Benzyloxy)-5-methoxy-2-nitrobenzoic acid
CID 10859633
2-{[(4-Methylphenyl)sulfonyl]amino}-5-Phenoxybenzoic Acid
CID 71300316
2-{[(4-Methylphenyl)sulfonyl]amino}-4-Phenoxybenzoic Acid
CID 71300317
5-(4-Carboxyphenoxy)-2-{[(4-Methylphenyl)sulfonyl]amino}benzoic Acid
CID 71819717
4-(2,3-Dihydro-benzo[1,4]dioxin-6-ylsulfamoyl)-benzoic acid
CID 861493
2-{[(4-Fluorophenyl)sulfonyl]amino}-4,5-dimethoxybenzoic acid
CID 1239984
N-(7-Acetyl-2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4-methylbenzenesulfonamide
CID 1263107
5-(3-Carboxyphenoxy)-2-(p-tolylsulfonylamino)benzoic acid
CID 58598755
Ethyl 2-amino-4,5-bis(2-methoxyethoxy)benzoate
CID 11347513
4,5-Dimethoxy-2-[(3-octoxybenzoyl)amino]benzoic acid
CID 91970413

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxyphenyl)sulfonylamino]-4,5-dimethoxybenzoic acid?
The IUPAC name of 2-[(4-ethoxyphenyl)sulfonylamino]-4,5-dimethoxybenzoic acid (CID 2082583) is 2-[(4-ethoxyphenyl)sulfonylamino]-4,5-dimethoxybenzoic acid.
What is the SMILES notation for 2-[(4-ethoxyphenyl)sulfonylamino]-4,5-dimethoxybenzoic acid?
The canonical SMILES for 2-[(4-ethoxyphenyl)sulfonylamino]-4,5-dimethoxybenzoic acid is CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2C(=O)O)cc1.
What is the InChIKey of 2-[(4-ethoxyphenyl)sulfonylamino]-4,5-dimethoxybenzoic acid?
The InChIKey is LQXXAYVTSBKCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO7S/c1-4-25-11-5-7-12(8-6-11)26(21,22)18-14-10-16(24-3)15(23-2)9-13(14)17(19)20/h5-10,18H,4H2,1-3H3,(H,19,20).
What are the key properties of 2-[(4-ethoxyphenyl)sulfonylamino]-4,5-dimethoxybenzoic acid?
2-[(4-ethoxyphenyl)sulfonylamino]-4,5-dimethoxybenzoic acid has a molecular weight of 381.41 g/mol, XLogP of 2.60, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxyphenyl)sulfonylamino]-4,5-dimethoxybenzoic acid is sourced from PubChem (CID 2082583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).