2-[4-[(2-bromo-6-fluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid

C11H9BrFN3O4S — CID 107596854

IUPAC2-[4-[(2-bromo-6-fluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(S(=O)(=O)Nc2c(F)cccc2Br)cn1
InChIInChI=1S/C11H9BrFN3O4S/c12-8-2-1-3-9(13)11(8)15-21(19,20)7-4-14-16(5-7)6-10(17)18/h1-5,15H,6H2,(H,17,18)
InChIKeyOGKHHIREFSZIJX-UHFFFAOYSA-N
MW378.18 g/mol
LogP1.67
Rot. Bonds5

About 2-[4-[(2-bromo-6-fluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid

2-[4-[(2-bromo-6-fluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid (PubChem CID 107596854) has the molecular formula C11H9BrFN3O4S and a molecular weight of 378.18 g/mol. Its IUPAC name is 2-[4-[(2-bromo-6-fluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2-bromo-6-fluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid
PubChem CID107596854
Molecular FormulaC11H9BrFN3O4S
Molecular Weight378.18 g/mol
Exact Mass376.95
IUPAC Name2-[4-[(2-bromo-6-fluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(S(=O)(=O)Nc2c(F)cccc2Br)cn1
InChIInChI=1S/C11H9BrFN3O4S/c12-8-2-1-3-9(13)11(8)15-21(19,20)7-4-14-16(5-7)6-10(17)18/h1-5,15H,6H2,(H,17,18)
InChIKeyOGKHHIREFSZIJX-UHFFFAOYSA-N
XLogP1.67
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.18
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromo-2-fluorophenyl)-1-ethylpyrazole-4-sulfonamide
CID 6469729
2-[4-[(3-Fluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43511034
2-[4-[(4-Fluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43511042
2-[4-[(4-Fluorophenyl)methylsulfamoyl]pyrazol-1-yl]acetic acid
CID 43511045
2-[4-[(2-Fluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43511047
2-[4-[(2-Fluorophenyl)methylsulfamoyl]pyrazol-1-yl]acetic acid
CID 43511051
2-[4-[(2,4-Difluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43511054
2-[4-[(5-Fluoro-2-methylphenyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43511056
2-[4-[(3-Fluoro-4-methylphenyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43511059
2-[4-[(4-Fluoro-2-methylphenyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43511065
2-[4-[(3,5-Difluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43511066
2-[4-[(3,4-Difluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43511075

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-bromo-6-fluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[(2-bromo-6-fluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid (CID 107596854) is 2-[4-[(2-bromo-6-fluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(2-bromo-6-fluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(2-bromo-6-fluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid is O=C(O)Cn1cc(S(=O)(=O)Nc2c(F)cccc2Br)cn1.
What is the InChIKey of 2-[4-[(2-bromo-6-fluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid?
The InChIKey is OGKHHIREFSZIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFN3O4S/c12-8-2-1-3-9(13)11(8)15-21(19,20)7-4-14-16(5-7)6-10(17)18/h1-5,15H,6H2,(H,17,18).
What are the key properties of 2-[4-[(2-bromo-6-fluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid?
2-[4-[(2-bromo-6-fluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid has a molecular weight of 378.18 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-bromo-6-fluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 107596854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).