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

C11H9ClFN3O4S — CID 43511161

IUPAC2-[4-[(4-chloro-2-fluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(S(=O)(=O)Nc2ccc(Cl)cc2F)cn1
InChIInChI=1S/C11H9ClFN3O4S/c12-7-1-2-10(9(13)3-7)15-21(19,20)8-4-14-16(5-8)6-11(17)18/h1-5,15H,6H2,(H,17,18)
InChIKeyUQLWKKAMQXMGPC-UHFFFAOYSA-N
MW333.73 g/mol
LogP1.56
Rot. Bonds5

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

2-[4-[(4-chloro-2-fluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid (PubChem CID 43511161) has the molecular formula C11H9ClFN3O4S and a molecular weight of 333.73 g/mol. Its IUPAC name is 2-[4-[(4-chloro-2-fluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(4-chloro-2-fluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid
PubChem CID43511161
Molecular FormulaC11H9ClFN3O4S
Molecular Weight333.73 g/mol
Exact Mass333.00
IUPAC Name2-[4-[(4-chloro-2-fluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(S(=O)(=O)Nc2ccc(Cl)cc2F)cn1
InChIInChI=1S/C11H9ClFN3O4S/c12-7-1-2-10(9(13)3-7)15-21(19,20)8-4-14-16(5-8)6-11(17)18/h1-5,15H,6H2,(H,17,18)
InChIKeyUQLWKKAMQXMGPC-UHFFFAOYSA-N
XLogP1.56
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.73
LogP ≤ 51.56
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-[(2-methylphenyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43511079
2-[4-[(2-bromo-6-fluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 107596854
2-[4-[(4-bromophenyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43511040
2-[4-[(3,5-dichlorophenyl)sulfonylamino]pyrazol-1-yl]acetic acid
CID 61018514
4-[(4-chloro-2-fluorophenyl)sulfamoyl]benzoic acid
CID 8501109
4-[(4-chloro-2-fluorophenyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 43132318
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
1-(3-aminopropyl)-N-(2-fluoro-4-methylphenyl)pyrazole-4-sulfonamide
CID 106031094
2-[4-[(2,4-dichlorophenyl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19500463

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-chloro-2-fluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[(4-chloro-2-fluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid (CID 43511161) is 2-[4-[(4-chloro-2-fluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(4-chloro-2-fluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(4-chloro-2-fluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid is O=C(O)Cn1cc(S(=O)(=O)Nc2ccc(Cl)cc2F)cn1.
What is the InChIKey of 2-[4-[(4-chloro-2-fluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid?
The InChIKey is UQLWKKAMQXMGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN3O4S/c12-7-1-2-10(9(13)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-[(4-chloro-2-fluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid?
2-[4-[(4-chloro-2-fluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid has a molecular weight of 333.73 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-chloro-2-fluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 43511161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).