2-[4-[(3-fluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid

C11H10FN3O4S — CID 43511034

IUPAC2-[4-[(3-fluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(S(=O)(=O)Nc2cccc(F)c2)cn1
InChIInChI=1S/C11H10FN3O4S/c12-8-2-1-3-9(4-8)14-20(18,19)10-5-13-15(6-10)7-11(16)17/h1-6,14H,7H2,(H,16,17)
InChIKeyURRPFXIAZPUBCY-UHFFFAOYSA-N
MW299.28 g/mol
LogP0.91
Rot. Bonds5

About 2-[4-[(3-fluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid

2-[4-[(3-fluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid (PubChem CID 43511034) has the molecular formula C11H10FN3O4S and a molecular weight of 299.28 g/mol. Its IUPAC name is 2-[4-[(3-fluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(3-fluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid
PubChem CID43511034
Molecular FormulaC11H10FN3O4S
Molecular Weight299.28 g/mol
Exact Mass299.04
IUPAC Name2-[4-[(3-fluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(S(=O)(=O)Nc2cccc(F)c2)cn1
InChIInChI=1S/C11H10FN3O4S/c12-8-2-1-3-9(4-8)14-20(18,19)10-5-13-15(6-10)7-11(16)17/h1-6,14H,7H2,(H,16,17)
InChIKeyURRPFXIAZPUBCY-UHFFFAOYSA-N
XLogP0.91
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.28
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-fluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[(3-fluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid (CID 43511034) is 2-[4-[(3-fluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(3-fluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(3-fluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid is O=C(O)Cn1cc(S(=O)(=O)Nc2cccc(F)c2)cn1.
What is the InChIKey of 2-[4-[(3-fluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid?
The InChIKey is URRPFXIAZPUBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O4S/c12-8-2-1-3-9(4-8)14-20(18,19)10-5-13-15(6-10)7-11(16)17/h1-6,14H,7H2,(H,16,17).
What are the key properties of 2-[4-[(3-fluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid?
2-[4-[(3-fluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid has a molecular weight of 299.28 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-fluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 43511034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).