5-[(4-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid

C11H11N3O4S — CID 54934211

IUPAC5-[(4-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESCc1ccc(NS(=O)(=O)c2[nH]ncc2C(=O)O)cc1
InChIInChI=1S/C11H11N3O4S/c1-7-2-4-8(5-3-7)14-19(17,18)10-9(11(15)16)6-12-13-10/h2-6,14H,1H3,(H,12,13)(H,15,16)
InChIKeyJOEOMAQZGVEZOY-UHFFFAOYSA-N
MW281.29 g/mol
LogP1.22
Rot. Bonds4

About 5-[(4-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid

5-[(4-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid (PubChem CID 54934211) has the molecular formula C11H11N3O4S and a molecular weight of 281.29 g/mol. Its IUPAC name is 5-[(4-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(4-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
PubChem CID54934211
Molecular FormulaC11H11N3O4S
Molecular Weight281.29 g/mol
Exact Mass281.05
IUPAC Name5-[(4-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESCc1ccc(NS(=O)(=O)c2[nH]ncc2C(=O)O)cc1
InChIInChI=1S/C11H11N3O4S/c1-7-2-4-8(5-3-7)14-19(17,18)10-9(11(15)16)6-12-13-10/h2-6,14H,1H3,(H,12,13)(H,15,16)
InChIKeyJOEOMAQZGVEZOY-UHFFFAOYSA-N
XLogP1.22
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-5-[(4-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
CID 53115470
5-[(4-fluoro-3-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 62811098
5-[(3-fluoro-5-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 79054686
N-(3,4-difluorophenyl)-5-[(4-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
CID 53115471
5-(1H-indazol-5-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 60912281
5-(thiophen-3-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 66351046
5-[(4-fluorophenyl)sulfamoyl]-N-methyl-1H-pyrazole-4-carboxamide
CID 53115687
5-[(3-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 54934258
5-[(4-ethoxyphenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 171146148
5-[(3,5-dichloro-4-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 107571644
5-[(4-methylphenyl)sulfamoyl]-N-[3-(trifluoromethoxy)phenyl]-1H-pyrazole-4-carboxamide
CID 53115477
5-[(1-methylpyrazol-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 54934269

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-[(4-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid (CID 54934211) is 5-[(4-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[(4-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-[(4-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid is Cc1ccc(NS(=O)(=O)c2[nH]ncc2C(=O)O)cc1.
What is the InChIKey of 5-[(4-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The InChIKey is JOEOMAQZGVEZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4S/c1-7-2-4-8(5-3-7)14-19(17,18)10-9(11(15)16)6-12-13-10/h2-6,14H,1H3,(H,12,13)(H,15,16).
What are the key properties of 5-[(4-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
5-[(4-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid has a molecular weight of 281.29 g/mol, XLogP of 1.22, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 54934211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).