4-methoxy-3-(2-methoxyethylsulfamoyl)benzoate

C11H14NO6S- — CID 2119868

IUPAC4-methoxy-3-(2-methoxyethylsulfamoyl)benzoate
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)/p-1
InChIKeyQEBWXIGRBWJXDP-UHFFFAOYSA-M
MW288.30 g/mol
LogP-1.02
Rot. Bonds7

About 4-methoxy-3-(2-methoxyethylsulfamoyl)benzoate

4-methoxy-3-(2-methoxyethylsulfamoyl)benzoate (PubChem CID 2119868) has the molecular formula C11H14NO6S- and a molecular weight of 288.30 g/mol. Its IUPAC name is 4-methoxy-3-(2-methoxyethylsulfamoyl)benzoate.

Molecular Properties

Compound Name4-methoxy-3-(2-methoxyethylsulfamoyl)benzoate
PubChem CID2119868
Molecular FormulaC11H14NO6S-
Molecular Weight288.30 g/mol
Exact Mass288.05
IUPAC Name4-methoxy-3-(2-methoxyethylsulfamoyl)benzoate
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)/p-1
InChIKeyQEBWXIGRBWJXDP-UHFFFAOYSA-M
XLogP-1.02
TPSA104.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 5-1.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-3-(2-methoxyethylsulfamoyl)benzoate
CID 9160422
[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 4-methoxy-3-(2-methoxyethylsulfamoyl)benzoate
CID 43050866
4-methoxy-N-(1-methoxypropan-2-yl)-3-(propylsulfamoyl)benzamide
CID 17017988
4-methoxy-3-(2-methoxyethylsulfamoyl)-N-(2-phenylbutyl)benzamide
CID 24548500
N-(4-bromo-2-methylphenyl)-4-methoxy-3-(2-methoxyethylsulfamoyl)benzamide
CID 17455890
3-(ethylsulfamoyl)-4-methoxy-N-(3-methoxypropyl)benzamide
CID 45373616
5-(3-hydroxyprop-1-ynyl)-2-methoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 60824267
3-(2,2-dimethylpropylsulfamoyl)-4-methoxybenzoic acid
CID 61168021
N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-(2-methoxyethylsulfamoyl)benzamide
CID 24560488
4-methoxy-3-(2-methoxyethylsulfamoyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 30855583
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-methoxy-3-(2-methoxyethylsulfamoyl)benzamide
CID 24543766
2-methoxy-N-(2-methoxyethyl)-5-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide
CID 24538797

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(2-methoxyethylsulfamoyl)benzoate?
The IUPAC name of 4-methoxy-3-(2-methoxyethylsulfamoyl)benzoate (CID 2119868) is 4-methoxy-3-(2-methoxyethylsulfamoyl)benzoate.
What is the SMILES notation for 4-methoxy-3-(2-methoxyethylsulfamoyl)benzoate?
The canonical SMILES for 4-methoxy-3-(2-methoxyethylsulfamoyl)benzoate is COCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1OC.
What is the InChIKey of 4-methoxy-3-(2-methoxyethylsulfamoyl)benzoate?
The InChIKey is QEBWXIGRBWJXDP-UHFFFAOYSA-M. 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)/p-1.
What are the key properties of 4-methoxy-3-(2-methoxyethylsulfamoyl)benzoate?
4-methoxy-3-(2-methoxyethylsulfamoyl)benzoate has a molecular weight of 288.30 g/mol, XLogP of -1.02, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(2-methoxyethylsulfamoyl)benzoate is sourced from PubChem (CID 2119868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).