2-[4-[(1,5-dimethylpyrazol-3-yl)sulfamoyl]phenyl]acetic acid

C13H15N3O4S — CID 91645949

IUPAC2-[4-[(1,5-dimethylpyrazol-3-yl)sulfamoyl]phenyl]acetic acid
SMILESCc1cc(NS(=O)(=O)c2ccc(CC(=O)O)cc2)nn1C
InChIInChI=1S/C13H15N3O4S/c1-9-7-12(14-16(9)2)15-21(19,20)11-5-3-10(4-6-11)8-13(17)18/h3-7H,8H2,1-2H3,(H,14,15)(H,17,18)
InChIKeySCCYMAUBQBFCKG-UHFFFAOYSA-N
MW309.35 g/mol
LogP1.16
Rot. Bonds5

About 2-[4-[(1,5-dimethylpyrazol-3-yl)sulfamoyl]phenyl]acetic acid

2-[4-[(1,5-dimethylpyrazol-3-yl)sulfamoyl]phenyl]acetic acid (PubChem CID 91645949) has the molecular formula C13H15N3O4S and a molecular weight of 309.35 g/mol. Its IUPAC name is 2-[4-[(1,5-dimethylpyrazol-3-yl)sulfamoyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(1,5-dimethylpyrazol-3-yl)sulfamoyl]phenyl]acetic acid
PubChem CID91645949
Molecular FormulaC13H15N3O4S
Molecular Weight309.35 g/mol
Exact Mass309.08
IUPAC Name2-[4-[(1,5-dimethylpyrazol-3-yl)sulfamoyl]phenyl]acetic acid
SMILESCc1cc(NS(=O)(=O)c2ccc(CC(=O)O)cc2)nn1C
InChIInChI=1S/C13H15N3O4S/c1-9-7-12(14-16(9)2)15-21(19,20)11-5-3-10(4-6-11)8-13(17)18/h3-7H,8H2,1-2H3,(H,14,15)(H,17,18)
InChIKeySCCYMAUBQBFCKG-UHFFFAOYSA-N
XLogP1.16
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(1,5-dimethylpyrazol-3-yl)sulfamoyl]phenyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-[(5-bromo-1-methylpyrazol-3-yl)sulfamoyl]phenyl]propanoic acid
CID 75399979
2-[4-[(3-methyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]acetic acid
CID 43440462
2-[4-(pyrazin-2-ylsulfamoyl)phenyl]acetic acid
CID 43616102
2-[4-[(4-hydroxyphenyl)sulfamoyl]phenyl]acetic acid
CID 43714781
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetic acid
CID 672063
2-[4-[(3-hydroxyphenyl)sulfamoyl]phenyl]acetic acid
CID 61167886
N-(1,5-dimethylpyrazol-3-yl)-3-fluoro-4-methyl-5-nitrobenzenesulfonamide
CID 86799386
2-[4-[(3-methoxyphenyl)sulfamoyl]phenyl]acetic acid
CID 69449790
2-[4-[(1-methylpyrazol-3-yl)sulfamoyl]phenyl]ethanethioamide
CID 79185565
2-[4-[(3-chlorophenyl)sulfamoyl]phenyl]acetic acid
CID 43440440
4-bromo-N-(1,5-dimethylpyrazol-3-yl)-2-methylbenzenesulfonamide
CID 91648724
2-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]phenyl]acetic acid
CID 61280702

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1,5-dimethylpyrazol-3-yl)sulfamoyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[(1,5-dimethylpyrazol-3-yl)sulfamoyl]phenyl]acetic acid (CID 91645949) is 2-[4-[(1,5-dimethylpyrazol-3-yl)sulfamoyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(1,5-dimethylpyrazol-3-yl)sulfamoyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(1,5-dimethylpyrazol-3-yl)sulfamoyl]phenyl]acetic acid is Cc1cc(NS(=O)(=O)c2ccc(CC(=O)O)cc2)nn1C.
What is the InChIKey of 2-[4-[(1,5-dimethylpyrazol-3-yl)sulfamoyl]phenyl]acetic acid?
The InChIKey is SCCYMAUBQBFCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S/c1-9-7-12(14-16(9)2)15-21(19,20)11-5-3-10(4-6-11)8-13(17)18/h3-7H,8H2,1-2H3,(H,14,15)(H,17,18).
What are the key properties of 2-[4-[(1,5-dimethylpyrazol-3-yl)sulfamoyl]phenyl]acetic acid?
2-[4-[(1,5-dimethylpyrazol-3-yl)sulfamoyl]phenyl]acetic acid has a molecular weight of 309.35 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1,5-dimethylpyrazol-3-yl)sulfamoyl]phenyl]acetic acid is sourced from PubChem (CID 91645949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).