3-methoxy-4-(1,3-thiazol-2-ylsulfamoyl)benzoic acid

C11H10N2O5S2 — CID 102694633

IUPAC3-methoxy-4-(1,3-thiazol-2-ylsulfamoyl)benzoic acid
SMILESCOc1cc(C(=O)O)ccc1S(=O)(=O)Nc1nccs1
InChIInChI=1S/C11H10N2O5S2/c1-18-8-6-7(10(14)15)2-3-9(8)20(16,17)13-11-12-4-5-19-11/h2-6H,1H3,(H,12,13)(H,14,15)
InChIKeyPUUJEDLYJFJIJH-UHFFFAOYSA-N
MW314.34 g/mol
LogP1.65
Rot. Bonds5

About 3-methoxy-4-(1,3-thiazol-2-ylsulfamoyl)benzoic acid

3-methoxy-4-(1,3-thiazol-2-ylsulfamoyl)benzoic acid (PubChem CID 102694633) has the molecular formula C11H10N2O5S2 and a molecular weight of 314.34 g/mol. Its IUPAC name is 3-methoxy-4-(1,3-thiazol-2-ylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name3-methoxy-4-(1,3-thiazol-2-ylsulfamoyl)benzoic acid
PubChem CID102694633
Molecular FormulaC11H10N2O5S2
Molecular Weight314.34 g/mol
Exact Mass314.00
IUPAC Name3-methoxy-4-(1,3-thiazol-2-ylsulfamoyl)benzoic acid
SMILESCOc1cc(C(=O)O)ccc1S(=O)(=O)Nc1nccs1
InChIInChI=1S/C11H10N2O5S2/c1-18-8-6-7(10(14)15)2-3-9(8)20(16,17)13-11-12-4-5-19-11/h2-6H,1H3,(H,12,13)(H,14,15)
InChIKeyPUUJEDLYJFJIJH-UHFFFAOYSA-N
XLogP1.65
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-methoxy-4-(thiatriazol-5-ylsulfamoyl)benzoic acid
CID 102695581
3-methoxy-4-(phenylsulfamoyl)benzoic acid
CID 102694630
methyl 3-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylate
CID 25044512
4-methoxy-3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethoxy]benzoic acid
CID 79737424
3-methoxy-4-(thiophen-2-ylmethylsulfamoyl)benzoic acid
CID 102694688
4-methoxy-3-[(4-thiophen-2-yl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid
CID 4965787
3-amino-4-methoxy-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 28509857
3-methoxy-4-[(1-methylcyclopropyl)sulfamoyl]benzoic acid
CID 102695439
4-(cyclopentylsulfamoyl)-3-methoxybenzoic acid
CID 102694641
4-[(3-hydroxy-2-methylbutan-2-yl)sulfamoyl]-3-methoxybenzoic acid
CID 102695497
3-methoxy-4-(prop-2-ynylsulfamoyl)benzoic acid
CID 102694677
3-[(2,4-dimethoxyphenyl)sulfonylamino]-4-methylbenzoic acid
CID 45330107

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(1,3-thiazol-2-ylsulfamoyl)benzoic acid?
The IUPAC name of 3-methoxy-4-(1,3-thiazol-2-ylsulfamoyl)benzoic acid (CID 102694633) is 3-methoxy-4-(1,3-thiazol-2-ylsulfamoyl)benzoic acid.
What is the SMILES notation for 3-methoxy-4-(1,3-thiazol-2-ylsulfamoyl)benzoic acid?
The canonical SMILES for 3-methoxy-4-(1,3-thiazol-2-ylsulfamoyl)benzoic acid is COc1cc(C(=O)O)ccc1S(=O)(=O)Nc1nccs1.
What is the InChIKey of 3-methoxy-4-(1,3-thiazol-2-ylsulfamoyl)benzoic acid?
The InChIKey is PUUJEDLYJFJIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O5S2/c1-18-8-6-7(10(14)15)2-3-9(8)20(16,17)13-11-12-4-5-19-11/h2-6H,1H3,(H,12,13)(H,14,15).
What are the key properties of 3-methoxy-4-(1,3-thiazol-2-ylsulfamoyl)benzoic acid?
3-methoxy-4-(1,3-thiazol-2-ylsulfamoyl)benzoic acid has a molecular weight of 314.34 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(1,3-thiazol-2-ylsulfamoyl)benzoic acid is sourced from PubChem (CID 102694633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).