2-[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]acetic acid

C17H14ClN3O4S — CID 12052546

IUPAC2-[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]acetic acid
SMILESNS(=O)(=O)c1ccc(-n2nc(CC(=O)O)cc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H14ClN3O4S/c18-12-3-1-11(2-4-12)16-9-13(10-17(22)23)20-21(16)14-5-7-15(8-6-14)26(19,24)25/h1-9H,10H2,(H,22,23)(H2,19,24,25)
InChIKeyTVCWLDVZGIEBOM-UHFFFAOYSA-N
MW391.84 g/mol
LogP2.47
Rot. Bonds5

About 2-[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]acetic acid

2-[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]acetic acid (PubChem CID 12052546) has the molecular formula C17H14ClN3O4S and a molecular weight of 391.84 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]acetic acid
PubChem CID12052546
Molecular FormulaC17H14ClN3O4S
Molecular Weight391.84 g/mol
Exact Mass391.04
IUPAC Name2-[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]acetic acid
SMILESNS(=O)(=O)c1ccc(-n2nc(CC(=O)O)cc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H14ClN3O4S/c18-12-3-1-11(2-4-12)16-9-13(10-17(22)23)20-21(16)14-5-7-15(8-6-14)26(19,24)25/h1-9H,10H2,(H,22,23)(H2,19,24,25)
InChIKeyTVCWLDVZGIEBOM-UHFFFAOYSA-N
XLogP2.47
TPSA115.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.84
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]acetic acid?
The IUPAC name of 2-[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]acetic acid (CID 12052546) is 2-[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]acetic acid.
What is the SMILES notation for 2-[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]acetic acid?
The canonical SMILES for 2-[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]acetic acid is NS(=O)(=O)c1ccc(-n2nc(CC(=O)O)cc2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]acetic acid?
The InChIKey is TVCWLDVZGIEBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O4S/c18-12-3-1-11(2-4-12)16-9-13(10-17(22)23)20-21(16)14-5-7-15(8-6-14)26(19,24)25/h1-9H,10H2,(H,22,23)(H2,19,24,25).
What are the key properties of 2-[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]acetic acid?
2-[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]acetic acid has a molecular weight of 391.84 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]acetic acid is sourced from PubChem (CID 12052546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).