4-methoxy-3-(2-methoxyethylsulfamoyl)benzoic acid

C11H15NO6S — CID 2119869

IUPAC4-methoxy-3-(2-methoxyethylsulfamoyl)benzoic acid
SMILESCOCCNS(=O)(=O)c1cc(C(=O)O)ccc1OC
InChIInChI=1S/C11H15NO6S/c1-17-6-5-12-19(15,16)10-7-8(11(13)14)3-4-9(10)18-2/h3-4,7,12H,5-6H2,1-2H3,(H,13,14)
InChIKeyQEBWXIGRBWJXDP-UHFFFAOYSA-N
MW289.31 g/mol
LogP0.32
Rot. Bonds7

About 4-methoxy-3-(2-methoxyethylsulfamoyl)benzoic acid

4-methoxy-3-(2-methoxyethylsulfamoyl)benzoic acid (PubChem CID 2119869) has the molecular formula C11H15NO6S and a molecular weight of 289.31 g/mol. Its IUPAC name is 4-methoxy-3-(2-methoxyethylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name4-methoxy-3-(2-methoxyethylsulfamoyl)benzoic acid
PubChem CID2119869
Molecular FormulaC11H15NO6S
Molecular Weight289.31 g/mol
Exact Mass289.06
IUPAC Name4-methoxy-3-(2-methoxyethylsulfamoyl)benzoic acid
SMILESCOCCNS(=O)(=O)c1cc(C(=O)O)ccc1OC
InChIInChI=1S/C11H15NO6S/c1-17-6-5-12-19(15,16)10-7-8(11(13)14)3-4-9(10)18-2/h3-4,7,12H,5-6H2,1-2H3,(H,13,14)
InChIKeyQEBWXIGRBWJXDP-UHFFFAOYSA-N
XLogP0.32
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-Methoxy-3-[(propan-2-yl)sulfamoyl]benzoic acid
CID 2119871
4-Methoxy-3-sulfamoylbenzoic acid
CID 2492699
3-(Dimethylsulfamoyl)-4-methoxybenzoic acid
CID 2492687
4-Methoxy-3-(methylsulfamoyl)benzoic acid
CID 2492720
3-(Tert-butylsulfamoyl)-4-methoxybenzoic acid
CID 4464061
4-Methoxy-3-(4-thiomorpholinylsulfonyl)benzoic acid
CID 6462652
3-(Azepane-1-sulfonyl)-4-methoxybenzoic acid
CID 757123
4-Methoxy-3-(morpholine-4-sulfonyl)benzoic acid
CID 767913
4-Methoxy-3-{[3-(2-oxopyrrolidin-1-yl)propyl]sulfamoyl}benzoic acid
CID 2378290
3-(Diethylsulfamoyl)-4-methoxybenzoic acid
CID 794499
5-[(Isopropylamino)sulfonyl]-2,4-dimethoxybenzoic acid
CID 2203685
3-{[2-(Dimethylamino)ethyl]sulfamoyl}-4-methoxybenzoic acid
CID 2392364

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(2-methoxyethylsulfamoyl)benzoic acid?
The IUPAC name of 4-methoxy-3-(2-methoxyethylsulfamoyl)benzoic acid (CID 2119869) is 4-methoxy-3-(2-methoxyethylsulfamoyl)benzoic acid.
What is the SMILES notation for 4-methoxy-3-(2-methoxyethylsulfamoyl)benzoic acid?
The canonical SMILES for 4-methoxy-3-(2-methoxyethylsulfamoyl)benzoic acid is COCCNS(=O)(=O)c1cc(C(=O)O)ccc1OC.
What is the InChIKey of 4-methoxy-3-(2-methoxyethylsulfamoyl)benzoic acid?
The InChIKey is QEBWXIGRBWJXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO6S/c1-17-6-5-12-19(15,16)10-7-8(11(13)14)3-4-9(10)18-2/h3-4,7,12H,5-6H2,1-2H3,(H,13,14).
What are the key properties of 4-methoxy-3-(2-methoxyethylsulfamoyl)benzoic acid?
4-methoxy-3-(2-methoxyethylsulfamoyl)benzoic acid has a molecular weight of 289.31 g/mol, XLogP of 0.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(2-methoxyethylsulfamoyl)benzoic acid is sourced from PubChem (CID 2119869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).