3-(2-methoxyethylsulfamoyl)-5-(1H-pyrazol-5-yl)benzoic acid

C13H15N3O5S — CID 56861914

IUPAC3-(2-methoxyethylsulfamoyl)-5-(1H-pyrazol-5-yl)benzoic acid
SMILESCOCCNS(=O)(=O)c1cc(C(=O)O)cc(-c2ccn[nH]2)c1
InChIInChI=1S/C13H15N3O5S/c1-21-5-4-15-22(19,20)11-7-9(12-2-3-14-16-12)6-10(8-11)13(17)18/h2-3,6-8,15H,4-5H2,1H3,(H,14,16)(H,17,18)
InChIKeyOILMAQVGXRJECN-UHFFFAOYSA-N
MW325.35 g/mol
LogP0.70
Rot. Bonds7

About 3-(2-methoxyethylsulfamoyl)-5-(1H-pyrazol-5-yl)benzoic acid

3-(2-methoxyethylsulfamoyl)-5-(1H-pyrazol-5-yl)benzoic acid (PubChem CID 56861914) has the molecular formula C13H15N3O5S and a molecular weight of 325.35 g/mol. Its IUPAC name is 3-(2-methoxyethylsulfamoyl)-5-(1H-pyrazol-5-yl)benzoic acid.

Molecular Properties

Compound Name3-(2-methoxyethylsulfamoyl)-5-(1H-pyrazol-5-yl)benzoic acid
PubChem CID56861914
Molecular FormulaC13H15N3O5S
Molecular Weight325.35 g/mol
Exact Mass325.07
IUPAC Name3-(2-methoxyethylsulfamoyl)-5-(1H-pyrazol-5-yl)benzoic acid
SMILESCOCCNS(=O)(=O)c1cc(C(=O)O)cc(-c2ccn[nH]2)c1
InChIInChI=1S/C13H15N3O5S/c1-21-5-4-15-22(19,20)11-7-9(12-2-3-14-16-12)6-10(8-11)13(17)18/h2-3,6-8,15H,4-5H2,1H3,(H,14,16)(H,17,18)
InChIKeyOILMAQVGXRJECN-UHFFFAOYSA-N
XLogP0.70
TPSA121.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methoxyethylsulfamoyl)-5-pyridin-4-ylbenzoic acid
CID 56870747
3-[6-(dimethylamino)-3-pyridinyl]-5-(2-methoxyethylsulfamoyl)benzoic acid
CID 56862344
3-[3-[(1R)-1-methoxyethyl]phenyl]-5-(2-methoxyethylsulfamoyl)benzoic acid
CID 95486381
3-(2-methoxyethylsulfamoyl)-N-(3-methoxypropyl)benzamide
CID 55565589
N-[2-(2-methoxyethoxy)ethyl]-1H-pyrazole-5-sulfonamide
CID 102692888
N-(2-methoxyethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565687
3-(2-methoxyethylsulfamoyl)-N-phenylbenzamide
CID 6463975
3-(3-methoxypropylsulfamoyl)benzoate
CID 36691372
4-[[[3-(2-methoxyethylsulfamoyl)phenyl]methylamino]methyl]benzoic acid
CID 122031524
2-(2-methoxyethylamino)-5-(3-methoxypropylsulfamoyl)benzoic acid
CID 99984056
5-(2-methoxyethylsulfamoylamino)benzene-1,3-dicarboxylic acid
CID 114814430
N-(2-methoxyethyl)-4-propanoylbenzenesulfonamide
CID 82164431

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethylsulfamoyl)-5-(1H-pyrazol-5-yl)benzoic acid?
The IUPAC name of 3-(2-methoxyethylsulfamoyl)-5-(1H-pyrazol-5-yl)benzoic acid (CID 56861914) is 3-(2-methoxyethylsulfamoyl)-5-(1H-pyrazol-5-yl)benzoic acid.
What is the SMILES notation for 3-(2-methoxyethylsulfamoyl)-5-(1H-pyrazol-5-yl)benzoic acid?
The canonical SMILES for 3-(2-methoxyethylsulfamoyl)-5-(1H-pyrazol-5-yl)benzoic acid is COCCNS(=O)(=O)c1cc(C(=O)O)cc(-c2ccn[nH]2)c1.
What is the InChIKey of 3-(2-methoxyethylsulfamoyl)-5-(1H-pyrazol-5-yl)benzoic acid?
The InChIKey is OILMAQVGXRJECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O5S/c1-21-5-4-15-22(19,20)11-7-9(12-2-3-14-16-12)6-10(8-11)13(17)18/h2-3,6-8,15H,4-5H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 3-(2-methoxyethylsulfamoyl)-5-(1H-pyrazol-5-yl)benzoic acid?
3-(2-methoxyethylsulfamoyl)-5-(1H-pyrazol-5-yl)benzoic acid has a molecular weight of 325.35 g/mol, XLogP of 0.70, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethylsulfamoyl)-5-(1H-pyrazol-5-yl)benzoic acid is sourced from PubChem (CID 56861914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).