2-[4-[(5-bromo-2-fluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid

C11H9BrFN3O4S — CID 43555600

IUPAC2-[4-[(5-bromo-2-fluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(S(=O)(=O)Nc2cc(Br)ccc2F)cn1
InChIInChI=1S/C11H9BrFN3O4S/c12-7-1-2-9(13)10(3-7)15-21(19,20)8-4-14-16(5-8)6-11(17)18/h1-5,15H,6H2,(H,17,18)
InChIKeyRWPVFXYGQIINSH-UHFFFAOYSA-N
MW378.18 g/mol
LogP1.67
Rot. Bonds5

About 2-[4-[(5-bromo-2-fluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid

2-[4-[(5-bromo-2-fluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid (PubChem CID 43555600) has the molecular formula C11H9BrFN3O4S and a molecular weight of 378.18 g/mol. Its IUPAC name is 2-[4-[(5-bromo-2-fluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(5-bromo-2-fluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid
PubChem CID43555600
Molecular FormulaC11H9BrFN3O4S
Molecular Weight378.18 g/mol
Exact Mass376.95
IUPAC Name2-[4-[(5-bromo-2-fluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(S(=O)(=O)Nc2cc(Br)ccc2F)cn1
InChIInChI=1S/C11H9BrFN3O4S/c12-7-1-2-9(13)10(3-7)15-21(19,20)8-4-14-16(5-8)6-11(17)18/h1-5,15H,6H2,(H,17,18)
InChIKeyRWPVFXYGQIINSH-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

Analyze 2-[4-[(5-bromo-2-fluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[(4-chloro-2-fluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43511161
2-[4-[(4-bromophenyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43511040
2-[4-[(2-bromo-6-fluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 107596854
2-[4-[(2-methylphenyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43511079
2-[4-[(4-methyl-2-pyridinyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43511127
2-[4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43535059
2-[4-[(1-ethylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43543582
4-fluoro-3-[(1-methylpyrazol-4-yl)sulfonylamino]benzoic acid
CID 47257775
1-(2-aminoethyl)-N-(5-bromo-2,4-difluorophenyl)pyrazole-4-sulfonamide
CID 106087019
2-[4-(2,2-dimethylpropylsulfamoyl)pyrazol-1-yl]acetic acid
CID 61166844
2-[4-[(1-methyl-6-oxo-3-pyridinyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 60933762
2-[4-(2-hydroxyethylsulfamoyl)pyrazol-1-yl]acetic acid
CID 43511212

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-bromo-2-fluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[(5-bromo-2-fluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid (CID 43555600) is 2-[4-[(5-bromo-2-fluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(5-bromo-2-fluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(5-bromo-2-fluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid is O=C(O)Cn1cc(S(=O)(=O)Nc2cc(Br)ccc2F)cn1.
What is the InChIKey of 2-[4-[(5-bromo-2-fluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid?
The InChIKey is RWPVFXYGQIINSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFN3O4S/c12-7-1-2-9(13)10(3-7)15-21(19,20)8-4-14-16(5-8)6-11(17)18/h1-5,15H,6H2,(H,17,18).
What are the key properties of 2-[4-[(5-bromo-2-fluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid?
2-[4-[(5-bromo-2-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-[(5-bromo-2-fluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 43555600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).