4-methoxy-3-(thiophen-2-ylmethylsulfamoyl)benzoic acid

C13H13NO5S2 — CID 43242507

IUPAC4-methoxy-3-(thiophen-2-ylmethylsulfamoyl)benzoic acid
SMILESCOc1ccc(C(=O)O)cc1S(=O)(=O)NCc1cccs1
InChIInChI=1S/C13H13NO5S2/c1-19-11-5-4-9(13(15)16)7-12(11)21(17,18)14-8-10-3-2-6-20-10/h2-7,14H,8H2,1H3,(H,15,16)
InChIKeyVJIQELCHLBSGIH-UHFFFAOYSA-N
MW327.38 g/mol
LogP1.93
Rot. Bonds6

About 4-methoxy-3-(thiophen-2-ylmethylsulfamoyl)benzoic acid

4-methoxy-3-(thiophen-2-ylmethylsulfamoyl)benzoic acid (PubChem CID 43242507) has the molecular formula C13H13NO5S2 and a molecular weight of 327.38 g/mol. Its IUPAC name is 4-methoxy-3-(thiophen-2-ylmethylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name4-methoxy-3-(thiophen-2-ylmethylsulfamoyl)benzoic acid
PubChem CID43242507
Molecular FormulaC13H13NO5S2
Molecular Weight327.38 g/mol
Exact Mass327.02
IUPAC Name4-methoxy-3-(thiophen-2-ylmethylsulfamoyl)benzoic acid
SMILESCOc1ccc(C(=O)O)cc1S(=O)(=O)NCc1cccs1
InChIInChI=1S/C13H13NO5S2/c1-19-11-5-4-9(13(15)16)7-12(11)21(17,18)14-8-10-3-2-6-20-10/h2-7,14H,8H2,1H3,(H,15,16)
InChIKeyVJIQELCHLBSGIH-UHFFFAOYSA-N
XLogP1.93
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-4-(thiophen-2-ylmethylsulfamoyl)benzoic acid
CID 102694688
3-(benzylsulfamoyl)-4-methoxybenzoic acid
CID 693909
5-ethyl-2-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 9267842
2,5-dimethoxy-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 6457434
3-(2,2-dimethylpropylsulfamoyl)-4-methoxybenzoic acid
CID 61168021
4-bromo-3-methyl-5-(thiophen-2-ylmethylsulfamoyl)benzoic acid
CID 104654364
3-(cyclopropylmethylsulfamoyl)-4-methoxybenzoic acid
CID 28511770
2,4-dimethoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 19682467
5-(thiophen-2-ylmethylsulfamoyl)thiophene-3-carboxylic acid
CID 43242554
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-methoxy-3-(methylsulfamoyl)benzoate
CID 7974346
3-[(3-hydroxy-2,2-dimethylpropyl)sulfamoyl]-4-methoxybenzoic acid
CID 115358266
4-methoxy-3-(propan-2-ylsulfamoyl)-N-(2-thiophen-2-ylethyl)benzamide
CID 46582229

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(thiophen-2-ylmethylsulfamoyl)benzoic acid?
The IUPAC name of 4-methoxy-3-(thiophen-2-ylmethylsulfamoyl)benzoic acid (CID 43242507) is 4-methoxy-3-(thiophen-2-ylmethylsulfamoyl)benzoic acid.
What is the SMILES notation for 4-methoxy-3-(thiophen-2-ylmethylsulfamoyl)benzoic acid?
The canonical SMILES for 4-methoxy-3-(thiophen-2-ylmethylsulfamoyl)benzoic acid is COc1ccc(C(=O)O)cc1S(=O)(=O)NCc1cccs1.
What is the InChIKey of 4-methoxy-3-(thiophen-2-ylmethylsulfamoyl)benzoic acid?
The InChIKey is VJIQELCHLBSGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO5S2/c1-19-11-5-4-9(13(15)16)7-12(11)21(17,18)14-8-10-3-2-6-20-10/h2-7,14H,8H2,1H3,(H,15,16).
What are the key properties of 4-methoxy-3-(thiophen-2-ylmethylsulfamoyl)benzoic acid?
4-methoxy-3-(thiophen-2-ylmethylsulfamoyl)benzoic acid has a molecular weight of 327.38 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(thiophen-2-ylmethylsulfamoyl)benzoic acid is sourced from PubChem (CID 43242507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).