4-methoxy-3-[(2-methoxyphenyl)sulfamoyl]benzoic acid

C15H15NO6S — CID 777278

IUPAC4-methoxy-3-[(2-methoxyphenyl)sulfamoyl]benzoic acid
SMILESCOc1ccccc1NS(=O)(=O)c1cc(C(=O)O)ccc1OC
InChIInChI=1S/C15H15NO6S/c1-21-12-6-4-3-5-11(12)16-23(19,20)14-9-10(15(17)18)7-8-13(14)22-2/h3-9,16H,1-2H3,(H,17,18)
InChIKeyGIWYBCYKWNZZNG-UHFFFAOYSA-N
MW337.35 g/mol
LogP2.20
Rot. Bonds6

About 4-methoxy-3-[(2-methoxyphenyl)sulfamoyl]benzoic acid

4-methoxy-3-[(2-methoxyphenyl)sulfamoyl]benzoic acid (PubChem CID 777278) has the molecular formula C15H15NO6S and a molecular weight of 337.35 g/mol. Its IUPAC name is 4-methoxy-3-[(2-methoxyphenyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-methoxy-3-[(2-methoxyphenyl)sulfamoyl]benzoic acid
PubChem CID777278
Molecular FormulaC15H15NO6S
Molecular Weight337.35 g/mol
Exact Mass337.06
IUPAC Name4-methoxy-3-[(2-methoxyphenyl)sulfamoyl]benzoic acid
SMILESCOc1ccccc1NS(=O)(=O)c1cc(C(=O)O)ccc1OC
InChIInChI=1S/C15H15NO6S/c1-21-12-6-4-3-5-11(12)16-23(19,20)14-9-10(15(17)18)7-8-13(14)22-2/h3-9,16H,1-2H3,(H,17,18)
InChIKeyGIWYBCYKWNZZNG-UHFFFAOYSA-N
XLogP2.20
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5-carboxy-2-methoxyphenyl)sulfonylamino]-4-phenoxybenzoic acid
CID 56507584
3-[(3-chloro-2-methoxyphenyl)sulfamoyl]-4-methoxybenzoic acid
CID 56798967
4-methoxy-3-(quinolin-8-ylsulfamoyl)benzoic acid
CID 24502180
4-[(2,5-dimethoxyphenyl)sulfonylamino]-3-hydroxybenzoic acid
CID 7720378
4,6-dimethoxy-1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-disulfonamide
CID 17349147
3-[[3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzoyl]amino]benzoic acid
CID 1081903
4-methoxy-3-[(3-methylphenyl)sulfamoyl]benzoic acid
CID 1332709
3-(benzylsulfamoyl)-4-methoxybenzoic acid
CID 693909
2-[(2-methoxyphenyl)sulfonylamino]benzoic acid
CID 43091453
4-chloro-N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 46525468
N-cyclopropyl-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 7908217
3-[[2-(2-fluorophenyl)-5-(trifluoromethyl)phenyl]sulfamoyl]-4-methoxybenzoic acid
CID 166018852

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[(2-methoxyphenyl)sulfamoyl]benzoic acid?
The IUPAC name of 4-methoxy-3-[(2-methoxyphenyl)sulfamoyl]benzoic acid (CID 777278) is 4-methoxy-3-[(2-methoxyphenyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 4-methoxy-3-[(2-methoxyphenyl)sulfamoyl]benzoic acid?
The canonical SMILES for 4-methoxy-3-[(2-methoxyphenyl)sulfamoyl]benzoic acid is COc1ccccc1NS(=O)(=O)c1cc(C(=O)O)ccc1OC.
What is the InChIKey of 4-methoxy-3-[(2-methoxyphenyl)sulfamoyl]benzoic acid?
The InChIKey is GIWYBCYKWNZZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO6S/c1-21-12-6-4-3-5-11(12)16-23(19,20)14-9-10(15(17)18)7-8-13(14)22-2/h3-9,16H,1-2H3,(H,17,18).
What are the key properties of 4-methoxy-3-[(2-methoxyphenyl)sulfamoyl]benzoic acid?
4-methoxy-3-[(2-methoxyphenyl)sulfamoyl]benzoic acid has a molecular weight of 337.35 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[(2-methoxyphenyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 777278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).