2-[4-[(5-fluoro-2-methylphenyl)sulfamoyl]pyrazol-1-yl]acetic acid

C12H12FN3O4S — CID 43511056

IUPAC2-[4-[(5-fluoro-2-methylphenyl)sulfamoyl]pyrazol-1-yl]acetic acid
SMILESCc1ccc(F)cc1NS(=O)(=O)c1cnn(CC(=O)O)c1
InChIInChI=1S/C12H12FN3O4S/c1-8-2-3-9(13)4-11(8)15-21(19,20)10-5-14-16(6-10)7-12(17)18/h2-6,15H,7H2,1H3,(H,17,18)
InChIKeyXIOODOZPEXWFMH-UHFFFAOYSA-N
MW313.31 g/mol
LogP1.22
Rot. Bonds5

About 2-[4-[(5-fluoro-2-methylphenyl)sulfamoyl]pyrazol-1-yl]acetic acid

2-[4-[(5-fluoro-2-methylphenyl)sulfamoyl]pyrazol-1-yl]acetic acid (PubChem CID 43511056) has the molecular formula C12H12FN3O4S and a molecular weight of 313.31 g/mol. Its IUPAC name is 2-[4-[(5-fluoro-2-methylphenyl)sulfamoyl]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(5-fluoro-2-methylphenyl)sulfamoyl]pyrazol-1-yl]acetic acid
PubChem CID43511056
Molecular FormulaC12H12FN3O4S
Molecular Weight313.31 g/mol
Exact Mass313.05
IUPAC Name2-[4-[(5-fluoro-2-methylphenyl)sulfamoyl]pyrazol-1-yl]acetic acid
SMILESCc1ccc(F)cc1NS(=O)(=O)c1cnn(CC(=O)O)c1
InChIInChI=1S/C12H12FN3O4S/c1-8-2-3-9(13)4-11(8)15-21(19,20)10-5-14-16(6-10)7-12(17)18/h2-6,15H,7H2,1H3,(H,17,18)
InChIKeyXIOODOZPEXWFMH-UHFFFAOYSA-N
XLogP1.22
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-fluoro-2-methylphenyl)sulfamoyl]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[(5-fluoro-2-methylphenyl)sulfamoyl]pyrazol-1-yl]acetic acid (CID 43511056) is 2-[4-[(5-fluoro-2-methylphenyl)sulfamoyl]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(5-fluoro-2-methylphenyl)sulfamoyl]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(5-fluoro-2-methylphenyl)sulfamoyl]pyrazol-1-yl]acetic acid is Cc1ccc(F)cc1NS(=O)(=O)c1cnn(CC(=O)O)c1.
What is the InChIKey of 2-[4-[(5-fluoro-2-methylphenyl)sulfamoyl]pyrazol-1-yl]acetic acid?
The InChIKey is XIOODOZPEXWFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O4S/c1-8-2-3-9(13)4-11(8)15-21(19,20)10-5-14-16(6-10)7-12(17)18/h2-6,15H,7H2,1H3,(H,17,18).
What are the key properties of 2-[4-[(5-fluoro-2-methylphenyl)sulfamoyl]pyrazol-1-yl]acetic acid?
2-[4-[(5-fluoro-2-methylphenyl)sulfamoyl]pyrazol-1-yl]acetic acid has a molecular weight of 313.31 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-fluoro-2-methylphenyl)sulfamoyl]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 43511056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).