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

C11H19N3O6S — CID 43511172

IUPAC2-[4-[bis(2-methoxyethyl)sulfamoyl]pyrazol-1-yl]acetic acid
SMILESCOCCN(CCOC)S(=O)(=O)c1cnn(CC(=O)O)c1
InChIInChI=1S/C11H19N3O6S/c1-19-5-3-14(4-6-20-2)21(17,18)10-7-12-13(8-10)9-11(15)16/h7-8H,3-6,9H2,1-2H3,(H,15,16)
InChIKeyJPDIFZNENVGZMP-UHFFFAOYSA-N
MW321.36 g/mol
LogP-0.75
Rot. Bonds10

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

2-[4-[bis(2-methoxyethyl)sulfamoyl]pyrazol-1-yl]acetic acid (PubChem CID 43511172) has the molecular formula C11H19N3O6S and a molecular weight of 321.36 g/mol. Its IUPAC name is 2-[4-[bis(2-methoxyethyl)sulfamoyl]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[bis(2-methoxyethyl)sulfamoyl]pyrazol-1-yl]acetic acid
PubChem CID43511172
Molecular FormulaC11H19N3O6S
Molecular Weight321.36 g/mol
Exact Mass321.10
IUPAC Name2-[4-[bis(2-methoxyethyl)sulfamoyl]pyrazol-1-yl]acetic acid
SMILESCOCCN(CCOC)S(=O)(=O)c1cnn(CC(=O)O)c1
InChIInChI=1S/C11H19N3O6S/c1-19-5-3-14(4-6-20-2)21(17,18)10-7-12-13(8-10)9-11(15)16/h7-8H,3-6,9H2,1-2H3,(H,15,16)
InChIKeyJPDIFZNENVGZMP-UHFFFAOYSA-N
XLogP-0.75
TPSA110.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[bis(2-methoxyethyl)sulfamoyl]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[bis(2-methoxyethyl)sulfamoyl]pyrazol-1-yl]acetic acid (CID 43511172) is 2-[4-[bis(2-methoxyethyl)sulfamoyl]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[bis(2-methoxyethyl)sulfamoyl]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[bis(2-methoxyethyl)sulfamoyl]pyrazol-1-yl]acetic acid is COCCN(CCOC)S(=O)(=O)c1cnn(CC(=O)O)c1.
What is the InChIKey of 2-[4-[bis(2-methoxyethyl)sulfamoyl]pyrazol-1-yl]acetic acid?
The InChIKey is JPDIFZNENVGZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O6S/c1-19-5-3-14(4-6-20-2)21(17,18)10-7-12-13(8-10)9-11(15)16/h7-8H,3-6,9H2,1-2H3,(H,15,16).
What are the key properties of 2-[4-[bis(2-methoxyethyl)sulfamoyl]pyrazol-1-yl]acetic acid?
2-[4-[bis(2-methoxyethyl)sulfamoyl]pyrazol-1-yl]acetic acid has a molecular weight of 321.36 g/mol, XLogP of -0.75, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[bis(2-methoxyethyl)sulfamoyl]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 43511172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).