5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]-2-hydroxybenzoic acid

C12H13N3O5S — CID 43547666

IUPAC5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]-2-hydroxybenzoic acid
SMILESCc1n[nH]c(C)c1NS(=O)(=O)c1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C12H13N3O5S/c1-6-11(7(2)14-13-6)15-21(19,20)8-3-4-10(16)9(5-8)12(17)18/h3-5,15-16H,1-2H3,(H,13,14)(H,17,18)
InChIKeyDUTBOFBGGPALIH-UHFFFAOYSA-N
MW311.32 g/mol
LogP1.23
Rot. Bonds4

About 5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]-2-hydroxybenzoic acid

5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]-2-hydroxybenzoic acid (PubChem CID 43547666) has the molecular formula C12H13N3O5S and a molecular weight of 311.32 g/mol. Its IUPAC name is 5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]-2-hydroxybenzoic acid
PubChem CID43547666
Molecular FormulaC12H13N3O5S
Molecular Weight311.32 g/mol
Exact Mass311.06
IUPAC Name5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]-2-hydroxybenzoic acid
SMILESCc1n[nH]c(C)c1NS(=O)(=O)c1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C12H13N3O5S/c1-6-11(7(2)14-13-6)15-21(19,20)8-3-4-10(16)9(5-8)12(17)18/h3-5,15-16H,1-2H3,(H,13,14)(H,17,18)
InChIKeyDUTBOFBGGPALIH-UHFFFAOYSA-N
XLogP1.23
TPSA132.38 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 51.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]-2-hydroxybenzoic acid?
The IUPAC name of 5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]-2-hydroxybenzoic acid (CID 43547666) is 5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]-2-hydroxybenzoic acid?
The canonical SMILES for 5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]-2-hydroxybenzoic acid is Cc1n[nH]c(C)c1NS(=O)(=O)c1ccc(O)c(C(=O)O)c1.
What is the InChIKey of 5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]-2-hydroxybenzoic acid?
The InChIKey is DUTBOFBGGPALIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O5S/c1-6-11(7(2)14-13-6)15-21(19,20)8-3-4-10(16)9(5-8)12(17)18/h3-5,15-16H,1-2H3,(H,13,14)(H,17,18).
What are the key properties of 5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]-2-hydroxybenzoic acid?
5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]-2-hydroxybenzoic acid has a molecular weight of 311.32 g/mol, XLogP of 1.23, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]-2-hydroxybenzoic acid is sourced from PubChem (CID 43547666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).