2-[4-(4-fluorophenyl)-3-(4-sulfamoylphenyl)pyrazol-1-yl]acetate

C17H13FN3O4S- — CID 18914552

IUPAC2-[4-(4-fluorophenyl)-3-(4-sulfamoylphenyl)pyrazol-1-yl]acetate
SMILESNS(=O)(=O)c1ccc(-c2nn(CC(=O)[O-])cc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C17H14FN3O4S/c18-13-5-1-11(2-6-13)15-9-21(10-16(22)23)20-17(15)12-3-7-14(8-4-12)26(19,24)25/h1-9H,10H2,(H,22,23)(H2,19,24,25)/p-1
InChIKeyYPMWTUQYYRTAJE-UHFFFAOYSA-M
MW374.37 g/mol
LogP0.75
Rot. Bonds5

About 2-[4-(4-fluorophenyl)-3-(4-sulfamoylphenyl)pyrazol-1-yl]acetate

2-[4-(4-fluorophenyl)-3-(4-sulfamoylphenyl)pyrazol-1-yl]acetate (PubChem CID 18914552) has the molecular formula C17H13FN3O4S- and a molecular weight of 374.37 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-3-(4-sulfamoylphenyl)pyrazol-1-yl]acetate.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)-3-(4-sulfamoylphenyl)pyrazol-1-yl]acetate
PubChem CID18914552
Molecular FormulaC17H13FN3O4S-
Molecular Weight374.37 g/mol
Exact Mass374.06
IUPAC Name2-[4-(4-fluorophenyl)-3-(4-sulfamoylphenyl)pyrazol-1-yl]acetate
SMILESNS(=O)(=O)c1ccc(-c2nn(CC(=O)[O-])cc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C17H14FN3O4S/c18-13-5-1-11(2-6-13)15-9-21(10-16(22)23)20-17(15)12-3-7-14(8-4-12)26(19,24)25/h1-9H,10H2,(H,22,23)(H2,19,24,25)/p-1
InChIKeyYPMWTUQYYRTAJE-UHFFFAOYSA-M
XLogP0.75
TPSA118.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)-3-(4-sulfamoylphenyl)pyrazol-1-yl]acetate?
The IUPAC name of 2-[4-(4-fluorophenyl)-3-(4-sulfamoylphenyl)pyrazol-1-yl]acetate (CID 18914552) is 2-[4-(4-fluorophenyl)-3-(4-sulfamoylphenyl)pyrazol-1-yl]acetate.
What is the SMILES notation for 2-[4-(4-fluorophenyl)-3-(4-sulfamoylphenyl)pyrazol-1-yl]acetate?
The canonical SMILES for 2-[4-(4-fluorophenyl)-3-(4-sulfamoylphenyl)pyrazol-1-yl]acetate is NS(=O)(=O)c1ccc(-c2nn(CC(=O)[O-])cc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 2-[4-(4-fluorophenyl)-3-(4-sulfamoylphenyl)pyrazol-1-yl]acetate?
The InChIKey is YPMWTUQYYRTAJE-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H14FN3O4S/c18-13-5-1-11(2-6-13)15-9-21(10-16(22)23)20-17(15)12-3-7-14(8-4-12)26(19,24)25/h1-9H,10H2,(H,22,23)(H2,19,24,25)/p-1.
What are the key properties of 2-[4-(4-fluorophenyl)-3-(4-sulfamoylphenyl)pyrazol-1-yl]acetate?
2-[4-(4-fluorophenyl)-3-(4-sulfamoylphenyl)pyrazol-1-yl]acetate has a molecular weight of 374.37 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)-3-(4-sulfamoylphenyl)pyrazol-1-yl]acetate is sourced from PubChem (CID 18914552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).