2-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]acetic acid

C6H9N3O4S — CID 104617629

IUPAC2-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]acetic acid
SMILESCc1cn[nH]c1NS(=O)(=O)CC(=O)O
InChIInChI=1S/C6H9N3O4S/c1-4-2-7-8-6(4)9-14(12,13)3-5(10)11/h2H,3H2,1H3,(H,10,11)(H2,7,8,9)
InChIKeyMMAPQPMXEQANQN-UHFFFAOYSA-N
MW219.22 g/mol
LogP-0.46
Rot. Bonds4

About 2-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]acetic acid

2-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]acetic acid (PubChem CID 104617629) has the molecular formula C6H9N3O4S and a molecular weight of 219.22 g/mol. Its IUPAC name is 2-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]acetic acid
PubChem CID104617629
Molecular FormulaC6H9N3O4S
Molecular Weight219.22 g/mol
Exact Mass219.03
IUPAC Name2-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]acetic acid
SMILESCc1cn[nH]c1NS(=O)(=O)CC(=O)O
InChIInChI=1S/C6H9N3O4S/c1-4-2-7-8-6(4)9-14(12,13)3-5(10)11/h2H,3H2,1H3,(H,10,11)(H2,7,8,9)
InChIKeyMMAPQPMXEQANQN-UHFFFAOYSA-N
XLogP-0.46
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]acetic acid?
The IUPAC name of 2-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]acetic acid (CID 104617629) is 2-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]acetic acid.
What is the SMILES notation for 2-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]acetic acid?
The canonical SMILES for 2-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]acetic acid is Cc1cn[nH]c1NS(=O)(=O)CC(=O)O.
What is the InChIKey of 2-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]acetic acid?
The InChIKey is MMAPQPMXEQANQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O4S/c1-4-2-7-8-6(4)9-14(12,13)3-5(10)11/h2H,3H2,1H3,(H,10,11)(H2,7,8,9).
What are the key properties of 2-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]acetic acid?
2-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]acetic acid has a molecular weight of 219.22 g/mol, XLogP of -0.46, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]acetic acid is sourced from PubChem (CID 104617629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).