2-[4-[(2-methylphenyl)sulfamoyl]pyrazol-1-yl]acetic acid

C12H13N3O4S — CID 43511079

IUPAC2-[4-[(2-methylphenyl)sulfamoyl]pyrazol-1-yl]acetic acid
SMILESCc1ccccc1NS(=O)(=O)c1cnn(CC(=O)O)c1
InChIInChI=1S/C12H13N3O4S/c1-9-4-2-3-5-11(9)14-20(18,19)10-6-13-15(7-10)8-12(16)17/h2-7,14H,8H2,1H3,(H,16,17)
InChIKeyNKMODFUWCQCGMA-UHFFFAOYSA-N
MW295.32 g/mol
LogP1.08
Rot. Bonds5

About 2-[4-[(2-methylphenyl)sulfamoyl]pyrazol-1-yl]acetic acid

2-[4-[(2-methylphenyl)sulfamoyl]pyrazol-1-yl]acetic acid (PubChem CID 43511079) has the molecular formula C12H13N3O4S and a molecular weight of 295.32 g/mol. Its IUPAC name is 2-[4-[(2-methylphenyl)sulfamoyl]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2-methylphenyl)sulfamoyl]pyrazol-1-yl]acetic acid
PubChem CID43511079
Molecular FormulaC12H13N3O4S
Molecular Weight295.32 g/mol
Exact Mass295.06
IUPAC Name2-[4-[(2-methylphenyl)sulfamoyl]pyrazol-1-yl]acetic acid
SMILESCc1ccccc1NS(=O)(=O)c1cnn(CC(=O)O)c1
InChIInChI=1S/C12H13N3O4S/c1-9-4-2-3-5-11(9)14-20(18,19)10-6-13-15(7-10)8-12(16)17/h2-7,14H,8H2,1H3,(H,16,17)
InChIKeyNKMODFUWCQCGMA-UHFFFAOYSA-N
XLogP1.08
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(1-ethylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43543582
2-[4-[(4-chloro-2-fluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43511161
2-[4-[(5-bromo-2-fluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43555600
2-[4-[(4-methyl-2-pyridinyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43511127
2-[4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43535059
2-[4-[(4-bromophenyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43511040
2-[4-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43511036
2-[4-[(2-bromo-6-fluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 107596854
2-[4-(methoxysulfamoyl)pyrazol-1-yl]acetic acid
CID 64973990
2-[4-[(1-methyl-6-oxo-3-pyridinyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 60933762
2-[4-(2,2-dimethylpropylsulfamoyl)pyrazol-1-yl]acetic acid
CID 61166844
2-[4-[(3-methylcyclobutyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 113467121

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methylphenyl)sulfamoyl]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[(2-methylphenyl)sulfamoyl]pyrazol-1-yl]acetic acid (CID 43511079) is 2-[4-[(2-methylphenyl)sulfamoyl]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(2-methylphenyl)sulfamoyl]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(2-methylphenyl)sulfamoyl]pyrazol-1-yl]acetic acid is Cc1ccccc1NS(=O)(=O)c1cnn(CC(=O)O)c1.
What is the InChIKey of 2-[4-[(2-methylphenyl)sulfamoyl]pyrazol-1-yl]acetic acid?
The InChIKey is NKMODFUWCQCGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4S/c1-9-4-2-3-5-11(9)14-20(18,19)10-6-13-15(7-10)8-12(16)17/h2-7,14H,8H2,1H3,(H,16,17).
What are the key properties of 2-[4-[(2-methylphenyl)sulfamoyl]pyrazol-1-yl]acetic acid?
2-[4-[(2-methylphenyl)sulfamoyl]pyrazol-1-yl]acetic acid has a molecular weight of 295.32 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methylphenyl)sulfamoyl]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 43511079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).