2-(4-sulfamoylphenoxy)ethyl 3-phenyl-1H-pyrazole-5-carboxylate

C18H17N3O5S — CID 40661255

IUPAC2-(4-sulfamoylphenoxy)ethyl 3-phenyl-1H-pyrazole-5-carboxylate
SMILESNS(=O)(=O)c1ccc(OCCOC(=O)c2cc(-c3ccccc3)n[nH]2)cc1
InChIInChI=1S/C18H17N3O5S/c19-27(23,24)15-8-6-14(7-9-15)25-10-11-26-18(22)17-12-16(20-21-17)13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,20,21)(H2,19,23,24)
InChIKeySEFLVGXFZUATCQ-UHFFFAOYSA-N
MW387.42 g/mol
LogP1.96
Rot. Bonds7

About 2-(4-sulfamoylphenoxy)ethyl 3-phenyl-1H-pyrazole-5-carboxylate

2-(4-sulfamoylphenoxy)ethyl 3-phenyl-1H-pyrazole-5-carboxylate (PubChem CID 40661255) has the molecular formula C18H17N3O5S and a molecular weight of 387.42 g/mol. Its IUPAC name is 2-(4-sulfamoylphenoxy)ethyl 3-phenyl-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Name2-(4-sulfamoylphenoxy)ethyl 3-phenyl-1H-pyrazole-5-carboxylate
PubChem CID40661255
Molecular FormulaC18H17N3O5S
Molecular Weight387.42 g/mol
Exact Mass387.09
IUPAC Name2-(4-sulfamoylphenoxy)ethyl 3-phenyl-1H-pyrazole-5-carboxylate
SMILESNS(=O)(=O)c1ccc(OCCOC(=O)c2cc(-c3ccccc3)n[nH]2)cc1
InChIInChI=1S/C18H17N3O5S/c19-27(23,24)15-8-6-14(7-9-15)25-10-11-26-18(22)17-12-16(20-21-17)13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,20,21)(H2,19,23,24)
InChIKeySEFLVGXFZUATCQ-UHFFFAOYSA-N
XLogP1.96
TPSA124.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-sulfamoylphenoxy)ethyl 4-iodobenzoate
CID 34125400
ethyl 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylate
CID 75357938
2-(4-sulfamoylphenoxy)ethyl 5-(4-fluorophenyl)thiophene-2-carboxylate
CID 46608934
methyl 3-phenyl-1H-pyrazole-5-carboxylate
CID 644585
2-(4-sulfamoylphenoxy)ethyl 2-anilinothieno[2,3-d][1,3]thiazole-5-carboxylate
CID 34295762
2-(4-sulfamoylphenoxy)ethyl 2-methyl-2-phenylpropanoate
CID 8568254
2-(4-sulfamoylphenoxy)ethyl 2-methyl-1H-indole-3-carboxylate
CID 35193490
4-(4-sulfamoylphenoxy)butanoic acid
CID 43164527
N-[4-[3-(dimethylamino)propoxy]phenyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 86898687
2-(4-sulfamoylphenoxy)ethyl 2-chloro-4,5-difluorobenzoate
CID 9229725
methyl 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylate
CID 2042513
2-(4-fluorophenoxy)ethyl 1H-indole-2-carboxylate
CID 7713495

Frequently Asked Questions

What is the IUPAC name of 2-(4-sulfamoylphenoxy)ethyl 3-phenyl-1H-pyrazole-5-carboxylate?
The IUPAC name of 2-(4-sulfamoylphenoxy)ethyl 3-phenyl-1H-pyrazole-5-carboxylate (CID 40661255) is 2-(4-sulfamoylphenoxy)ethyl 3-phenyl-1H-pyrazole-5-carboxylate.
What is the SMILES notation for 2-(4-sulfamoylphenoxy)ethyl 3-phenyl-1H-pyrazole-5-carboxylate?
The canonical SMILES for 2-(4-sulfamoylphenoxy)ethyl 3-phenyl-1H-pyrazole-5-carboxylate is NS(=O)(=O)c1ccc(OCCOC(=O)c2cc(-c3ccccc3)n[nH]2)cc1.
What is the InChIKey of 2-(4-sulfamoylphenoxy)ethyl 3-phenyl-1H-pyrazole-5-carboxylate?
The InChIKey is SEFLVGXFZUATCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O5S/c19-27(23,24)15-8-6-14(7-9-15)25-10-11-26-18(22)17-12-16(20-21-17)13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,20,21)(H2,19,23,24).
What are the key properties of 2-(4-sulfamoylphenoxy)ethyl 3-phenyl-1H-pyrazole-5-carboxylate?
2-(4-sulfamoylphenoxy)ethyl 3-phenyl-1H-pyrazole-5-carboxylate has a molecular weight of 387.42 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-sulfamoylphenoxy)ethyl 3-phenyl-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 40661255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).