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

C11H10BrN3O4S — CID 43511040

IUPAC2-[4-[(4-bromophenyl)sulfamoyl]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(S(=O)(=O)Nc2ccc(Br)cc2)cn1
InChIInChI=1S/C11H10BrN3O4S/c12-8-1-3-9(4-2-8)14-20(18,19)10-5-13-15(6-10)7-11(16)17/h1-6,14H,7H2,(H,16,17)
InChIKeyYAESFYBOFGEYCI-UHFFFAOYSA-N
MW360.19 g/mol
LogP1.53
Rot. Bonds5

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

2-[4-[(4-bromophenyl)sulfamoyl]pyrazol-1-yl]acetic acid (PubChem CID 43511040) has the molecular formula C11H10BrN3O4S and a molecular weight of 360.19 g/mol. Its IUPAC name is 2-[4-[(4-bromophenyl)sulfamoyl]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(4-bromophenyl)sulfamoyl]pyrazol-1-yl]acetic acid
PubChem CID43511040
Molecular FormulaC11H10BrN3O4S
Molecular Weight360.19 g/mol
Exact Mass358.96
IUPAC Name2-[4-[(4-bromophenyl)sulfamoyl]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(S(=O)(=O)Nc2ccc(Br)cc2)cn1
InChIInChI=1S/C11H10BrN3O4S/c12-8-1-3-9(4-2-8)14-20(18,19)10-5-13-15(6-10)7-11(16)17/h1-6,14H,7H2,(H,16,17)
InChIKeyYAESFYBOFGEYCI-UHFFFAOYSA-N
XLogP1.53
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.19
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(5-bromo-2-fluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43555600
2-[4-[(1-methyl-6-oxo-3-pyridinyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 60933762
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
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-(methoxysulfamoyl)pyrazol-1-yl]acetic acid
CID 64973990
2-[4-(2-hydroxyethylsulfamoyl)pyrazol-1-yl]acetic acid
CID 43511212
2-[4-(2-hydroxypropylsulfamoyl)pyrazol-1-yl]acetic acid
CID 43511215
2-[4-[(2-bromophenyl)sulfonylamino]pyrazol-1-yl]acetic acid
CID 61018649
3-[4-[(5-bromo-2-pyridinyl)sulfamoyl]pyrazol-1-yl]propanoic acid
CID 43513657
2-[4-[(4-chloro-2-fluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43511161

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-bromophenyl)sulfamoyl]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[(4-bromophenyl)sulfamoyl]pyrazol-1-yl]acetic acid (CID 43511040) is 2-[4-[(4-bromophenyl)sulfamoyl]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(4-bromophenyl)sulfamoyl]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(4-bromophenyl)sulfamoyl]pyrazol-1-yl]acetic acid is O=C(O)Cn1cc(S(=O)(=O)Nc2ccc(Br)cc2)cn1.
What is the InChIKey of 2-[4-[(4-bromophenyl)sulfamoyl]pyrazol-1-yl]acetic acid?
The InChIKey is YAESFYBOFGEYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O4S/c12-8-1-3-9(4-2-8)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-[(4-bromophenyl)sulfamoyl]pyrazol-1-yl]acetic acid?
2-[4-[(4-bromophenyl)sulfamoyl]pyrazol-1-yl]acetic acid has a molecular weight of 360.19 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-bromophenyl)sulfamoyl]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 43511040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).