5-hydroxy-2-[(1-methylpyrazol-4-yl)sulfonylamino]benzoic acid

C11H11N3O5S — CID 61406079

IUPAC5-hydroxy-2-[(1-methylpyrazol-4-yl)sulfonylamino]benzoic acid
SMILESCn1cc(S(=O)(=O)Nc2ccc(O)cc2C(=O)O)cn1
InChIInChI=1S/C11H11N3O5S/c1-14-6-8(5-12-14)20(18,19)13-10-3-2-7(15)4-9(10)11(16)17/h2-6,13,15H,1H3,(H,16,17)
InChIKeyUPDUSJRYYAZWQP-UHFFFAOYSA-N
MW297.29 g/mol
LogP0.62
Rot. Bonds4

About 5-hydroxy-2-[(1-methylpyrazol-4-yl)sulfonylamino]benzoic acid

5-hydroxy-2-[(1-methylpyrazol-4-yl)sulfonylamino]benzoic acid (PubChem CID 61406079) has the molecular formula C11H11N3O5S and a molecular weight of 297.29 g/mol. Its IUPAC name is 5-hydroxy-2-[(1-methylpyrazol-4-yl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name5-hydroxy-2-[(1-methylpyrazol-4-yl)sulfonylamino]benzoic acid
PubChem CID61406079
Molecular FormulaC11H11N3O5S
Molecular Weight297.29 g/mol
Exact Mass297.04
IUPAC Name5-hydroxy-2-[(1-methylpyrazol-4-yl)sulfonylamino]benzoic acid
SMILESCn1cc(S(=O)(=O)Nc2ccc(O)cc2C(=O)O)cn1
InChIInChI=1S/C11H11N3O5S/c1-14-6-8(5-12-14)20(18,19)13-10-3-2-7(15)4-9(10)11(16)17/h2-6,13,15H,1H3,(H,16,17)
InChIKeyUPDUSJRYYAZWQP-UHFFFAOYSA-N
XLogP0.62
TPSA121.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

3-[(1-methylpyrazol-4-yl)sulfonylamino]thiophene-2-carboxylic acid
CID 43443076
4-fluoro-3-[(1-methylpyrazol-4-yl)sulfonylamino]benzoic acid
CID 47257775
methyl 2-[(1-methylpyrazol-4-yl)sulfonylamino]benzoate
CID 43431261
N-(2-hydroxy-5-methylsulfonylphenyl)-1-methylpyrazole-4-sulfonamide
CID 81421576
5-hydroxy-2-(methanesulfonamido)benzoic acid
CID 61406346
N-(2-amino-4-fluorophenyl)-1-methylpyrazole-4-sulfonamide
CID 62061544
N-(5-amino-2-methylphenyl)-1-methylpyrazole-4-sulfonamide
CID 43605199
methyl 3-[(1-methylpyrazol-4-yl)sulfonylamino]thiophene-2-carboxylate
CID 43624372
4-hydroxy-N-(1-methylpyrazol-4-yl)benzenesulfonamide
CID 43535283
2-[3-[(1-methylpyrazol-4-yl)sulfonylamino]phenoxy]acetic acid
CID 61058726
5-hydroxy-2-(methoxycarbonylsulfamoylamino)benzoic acid
CID 114462428
2-(diethylsulfamoylamino)-5-hydroxybenzoic acid
CID 61405743

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[(1-methylpyrazol-4-yl)sulfonylamino]benzoic acid?
The IUPAC name of 5-hydroxy-2-[(1-methylpyrazol-4-yl)sulfonylamino]benzoic acid (CID 61406079) is 5-hydroxy-2-[(1-methylpyrazol-4-yl)sulfonylamino]benzoic acid.
What is the SMILES notation for 5-hydroxy-2-[(1-methylpyrazol-4-yl)sulfonylamino]benzoic acid?
The canonical SMILES for 5-hydroxy-2-[(1-methylpyrazol-4-yl)sulfonylamino]benzoic acid is Cn1cc(S(=O)(=O)Nc2ccc(O)cc2C(=O)O)cn1.
What is the InChIKey of 5-hydroxy-2-[(1-methylpyrazol-4-yl)sulfonylamino]benzoic acid?
The InChIKey is UPDUSJRYYAZWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O5S/c1-14-6-8(5-12-14)20(18,19)13-10-3-2-7(15)4-9(10)11(16)17/h2-6,13,15H,1H3,(H,16,17).
What are the key properties of 5-hydroxy-2-[(1-methylpyrazol-4-yl)sulfonylamino]benzoic acid?
5-hydroxy-2-[(1-methylpyrazol-4-yl)sulfonylamino]benzoic acid has a molecular weight of 297.29 g/mol, XLogP of 0.62, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-[(1-methylpyrazol-4-yl)sulfonylamino]benzoic acid is sourced from PubChem (CID 61406079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).