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

C12H12FN3O4S — CID 43511051

IUPAC2-[4-[(2-fluorophenyl)methylsulfamoyl]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(S(=O)(=O)NCc2ccccc2F)cn1
InChIInChI=1S/C12H12FN3O4S/c13-11-4-2-1-3-9(11)5-15-21(19,20)10-6-14-16(7-10)8-12(17)18/h1-4,6-7,15H,5,8H2,(H,17,18)
InChIKeyKYUROXUQERLOFG-UHFFFAOYSA-N
MW313.31 g/mol
LogP0.59
Rot. Bonds6

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

2-[4-[(2-fluorophenyl)methylsulfamoyl]pyrazol-1-yl]acetic acid (PubChem CID 43511051) has the molecular formula C12H12FN3O4S and a molecular weight of 313.31 g/mol. Its IUPAC name is 2-[4-[(2-fluorophenyl)methylsulfamoyl]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2-fluorophenyl)methylsulfamoyl]pyrazol-1-yl]acetic acid
PubChem CID43511051
Molecular FormulaC12H12FN3O4S
Molecular Weight313.31 g/mol
Exact Mass313.05
IUPAC Name2-[4-[(2-fluorophenyl)methylsulfamoyl]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(S(=O)(=O)NCc2ccccc2F)cn1
InChIInChI=1S/C12H12FN3O4S/c13-11-4-2-1-3-9(11)5-15-21(19,20)10-6-14-16(7-10)8-12(17)18/h1-4,6-7,15H,5,8H2,(H,17,18)
InChIKeyKYUROXUQERLOFG-UHFFFAOYSA-N
XLogP0.59
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-fluorophenyl)methylsulfamoyl]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[(2-fluorophenyl)methylsulfamoyl]pyrazol-1-yl]acetic acid (CID 43511051) is 2-[4-[(2-fluorophenyl)methylsulfamoyl]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(2-fluorophenyl)methylsulfamoyl]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(2-fluorophenyl)methylsulfamoyl]pyrazol-1-yl]acetic acid is O=C(O)Cn1cc(S(=O)(=O)NCc2ccccc2F)cn1.
What is the InChIKey of 2-[4-[(2-fluorophenyl)methylsulfamoyl]pyrazol-1-yl]acetic acid?
The InChIKey is KYUROXUQERLOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O4S/c13-11-4-2-1-3-9(11)5-15-21(19,20)10-6-14-16(7-10)8-12(17)18/h1-4,6-7,15H,5,8H2,(H,17,18).
What are the key properties of 2-[4-[(2-fluorophenyl)methylsulfamoyl]pyrazol-1-yl]acetic acid?
2-[4-[(2-fluorophenyl)methylsulfamoyl]pyrazol-1-yl]acetic acid has a molecular weight of 313.31 g/mol, XLogP of 0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-fluorophenyl)methylsulfamoyl]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 43511051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).