2-(4-sulfamoylphenoxy)ethyl 5-(4-fluorophenyl)thiophene-2-carboxylate

C19H16FNO5S2 — CID 46608934

IUPAC2-(4-sulfamoylphenoxy)ethyl 5-(4-fluorophenyl)thiophene-2-carboxylate
SMILESNS(=O)(=O)c1ccc(OCCOC(=O)c2ccc(-c3ccc(F)cc3)s2)cc1
InChIInChI=1S/C19H16FNO5S2/c20-14-3-1-13(2-4-14)17-9-10-18(27-17)19(22)26-12-11-25-15-5-7-16(8-6-15)28(21,23)24/h1-10H,11-12H2,(H2,21,23,24)
InChIKeyYBUQGUZGSJBYBJ-UHFFFAOYSA-N
MW421.47 g/mol
LogP3.44
Rot. Bonds7

About 2-(4-sulfamoylphenoxy)ethyl 5-(4-fluorophenyl)thiophene-2-carboxylate

2-(4-sulfamoylphenoxy)ethyl 5-(4-fluorophenyl)thiophene-2-carboxylate (PubChem CID 46608934) has the molecular formula C19H16FNO5S2 and a molecular weight of 421.47 g/mol. Its IUPAC name is 2-(4-sulfamoylphenoxy)ethyl 5-(4-fluorophenyl)thiophene-2-carboxylate.

Molecular Properties

Compound Name2-(4-sulfamoylphenoxy)ethyl 5-(4-fluorophenyl)thiophene-2-carboxylate
PubChem CID46608934
Molecular FormulaC19H16FNO5S2
Molecular Weight421.47 g/mol
Exact Mass421.05
IUPAC Name2-(4-sulfamoylphenoxy)ethyl 5-(4-fluorophenyl)thiophene-2-carboxylate
SMILESNS(=O)(=O)c1ccc(OCCOC(=O)c2ccc(-c3ccc(F)cc3)s2)cc1
InChIInChI=1S/C19H16FNO5S2/c20-14-3-1-13(2-4-14)17-9-10-18(27-17)19(22)26-12-11-25-15-5-7-16(8-6-15)28(21,23)24/h1-10H,11-12H2,(H2,21,23,24)
InChIKeyYBUQGUZGSJBYBJ-UHFFFAOYSA-N
XLogP3.44
TPSA95.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.47
LogP ≤ 53.44
H-Bond Donors ≤ 51
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 3-phenyl-1H-pyrazole-5-carboxylate
CID 40661255
2-(4-sulfamoylphenoxy)ethyl 1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxylate
CID 46829137
2-(4-sulfamoylphenoxy)ethyl 2-chloro-4,5-difluorobenzoate
CID 9229725
2-(4-sulfamoylphenoxy)ethyl 4-iodobenzoate
CID 34125400
4-[(4-fluorophenyl)methoxy]benzenesulfonamide
CID 43342474
2-(4-sulfamoylphenoxy)ethyl 2H-chromene-3-carboxylate
CID 8821537
(1-amino-1-oxopropan-2-yl) 5-(4-fluorophenyl)thiophene-2-carboxylate
CID 18192454
2-(4-sulfamoylphenoxy)ethyl 4-acetamidobenzoate
CID 34129136
4-[5-(4-fluorophenyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]benzenesulfonamide
CID 22911997
2-(4-sulfamoylphenoxy)ethyl 3-(4-methoxyphenoxy)propanoate
CID 34429524
[2-(butan-2-ylamino)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate
CID 18192441
2-(4-sulfamoylphenoxy)ethyl 2-anilinothieno[2,3-d][1,3]thiazole-5-carboxylate
CID 34295762

Frequently Asked Questions

What is the IUPAC name of 2-(4-sulfamoylphenoxy)ethyl 5-(4-fluorophenyl)thiophene-2-carboxylate?
The IUPAC name of 2-(4-sulfamoylphenoxy)ethyl 5-(4-fluorophenyl)thiophene-2-carboxylate (CID 46608934) is 2-(4-sulfamoylphenoxy)ethyl 5-(4-fluorophenyl)thiophene-2-carboxylate.
What is the SMILES notation for 2-(4-sulfamoylphenoxy)ethyl 5-(4-fluorophenyl)thiophene-2-carboxylate?
The canonical SMILES for 2-(4-sulfamoylphenoxy)ethyl 5-(4-fluorophenyl)thiophene-2-carboxylate is NS(=O)(=O)c1ccc(OCCOC(=O)c2ccc(-c3ccc(F)cc3)s2)cc1.
What is the InChIKey of 2-(4-sulfamoylphenoxy)ethyl 5-(4-fluorophenyl)thiophene-2-carboxylate?
The InChIKey is YBUQGUZGSJBYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO5S2/c20-14-3-1-13(2-4-14)17-9-10-18(27-17)19(22)26-12-11-25-15-5-7-16(8-6-15)28(21,23)24/h1-10H,11-12H2,(H2,21,23,24).
What are the key properties of 2-(4-sulfamoylphenoxy)ethyl 5-(4-fluorophenyl)thiophene-2-carboxylate?
2-(4-sulfamoylphenoxy)ethyl 5-(4-fluorophenyl)thiophene-2-carboxylate has a molecular weight of 421.47 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-sulfamoylphenoxy)ethyl 5-(4-fluorophenyl)thiophene-2-carboxylate is sourced from PubChem (CID 46608934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).