5-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]-2-hydroxybenzoic acid

C12H13N3O5S — CID 29042030

IUPAC5-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]-2-hydroxybenzoic acid
SMILESCc1cc(NS(=O)(=O)c2ccc(O)c(C(=O)O)c2)n(C)n1
InChIInChI=1S/C12H13N3O5S/c1-7-5-11(15(2)13-7)14-21(19,20)8-3-4-10(16)9(6-8)12(17)18/h3-6,14,16H,1-2H3,(H,17,18)
InChIKeyPNSDXGPYNSPUSW-UHFFFAOYSA-N
MW311.32 g/mol
LogP0.93
Rot. Bonds4

About 5-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]-2-hydroxybenzoic acid

5-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]-2-hydroxybenzoic acid (PubChem CID 29042030) has the molecular formula C12H13N3O5S and a molecular weight of 311.32 g/mol. Its IUPAC name is 5-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]-2-hydroxybenzoic acid
PubChem CID29042030
Molecular FormulaC12H13N3O5S
Molecular Weight311.32 g/mol
Exact Mass311.06
IUPAC Name5-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]-2-hydroxybenzoic acid
SMILESCc1cc(NS(=O)(=O)c2ccc(O)c(C(=O)O)c2)n(C)n1
InChIInChI=1S/C12H13N3O5S/c1-7-5-11(15(2)13-7)14-21(19,20)8-3-4-10(16)9(6-8)12(17)18/h3-6,14,16H,1-2H3,(H,17,18)
InChIKeyPNSDXGPYNSPUSW-UHFFFAOYSA-N
XLogP0.93
TPSA121.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(2,5-Dimethylpyrazol-3-yl)sulfamoyl]-4-fluorobenzoic acid
CID 28541449
5-[(2,5-Dimethylpyrazol-3-yl)sulfamoyl]-2-fluorobenzoic acid
CID 29563164
3-[(1,5-Dimethylpyrazol-3-yl)sulfamoyl]-5-fluorobenzoic acid
CID 75430899
4-[(2,5-Dimethylpyrazol-3-yl)sulfamoyl]-3-fluorobenzoic acid
CID 79180364
5-{[2-[(acetylamino)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-5(4H)-yl]sulfonyl}-2-hydroxybenzoic acid
CID 121496401
Tert-butyl 5-[(3-carbamoyl-4-hydroxyphenyl)sulfonylamino]pyrazole-1-carboxylate
CID 130406454
5-[(3-Carbamoyl-4-hydroxyphenyl)sulfonylamino]pyrazole-1-carboxylic acid
CID 130406586
5-[(2-Ethyl-5-methylpyrazol-3-yl)sulfamoyl]-2-(oxan-4-ylmethoxy)benzoic acid
CID 135352543
5-[[3-(Dimethylcarbamoyl)-1-methylpyrazol-5-yl]sulfamoyl]-2-(oxan-4-ylmethoxy)benzoic acid
CID 135352545
5-[Cyclobutyl-(2-ethyl-5-methylpyrazol-3-yl)sulfamoyl]-2-(oxetan-3-ylmethoxy)benzoic acid
CID 135352551
5-[(2-Ethyl-5-methylpyrazol-3-yl)-(2-methylpropyl)sulfamoyl]-2-(oxan-4-ylmethoxy)benzoic acid
CID 135352555
5-[Cyclobutyl-(2-ethyl-5-methylpyrazol-3-yl)sulfamoyl]-2-hydroxybenzoic acid
CID 135352560

Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]-2-hydroxybenzoic acid?
The IUPAC name of 5-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]-2-hydroxybenzoic acid (CID 29042030) is 5-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]-2-hydroxybenzoic acid?
The canonical SMILES for 5-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]-2-hydroxybenzoic acid is Cc1cc(NS(=O)(=O)c2ccc(O)c(C(=O)O)c2)n(C)n1.
What is the InChIKey of 5-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]-2-hydroxybenzoic acid?
The InChIKey is PNSDXGPYNSPUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O5S/c1-7-5-11(15(2)13-7)14-21(19,20)8-3-4-10(16)9(6-8)12(17)18/h3-6,14,16H,1-2H3,(H,17,18).
What are the key properties of 5-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]-2-hydroxybenzoic acid?
5-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]-2-hydroxybenzoic acid has a molecular weight of 311.32 g/mol, XLogP of 0.93, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]-2-hydroxybenzoic acid is sourced from PubChem (CID 29042030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).