4-[(4-fluorophenyl)-methylsulfamoyl]-N-(3-hydroxyphenyl)thiophene-2-carboxamide

C18H15FN2O4S2 — CID 6503734

IUPAC4-[(4-fluorophenyl)-methylsulfamoyl]-N-(3-hydroxyphenyl)thiophene-2-carboxamide
SMILESCN(c1ccc(F)cc1)S(=O)(=O)c1csc(C(=O)Nc2cccc(O)c2)c1
InChIInChI=1S/C18H15FN2O4S2/c1-21(14-7-5-12(19)6-8-14)27(24,25)16-10-17(26-11-16)18(23)20-13-3-2-4-15(22)9-13/h2-11,22H,1H3,(H,20,23)
InChIKeyQVXDYHHWHUDZOT-UHFFFAOYSA-N
MW406.46 g/mol
LogP3.67
Rot. Bonds5

About 4-[(4-fluorophenyl)-methylsulfamoyl]-N-(3-hydroxyphenyl)thiophene-2-carboxamide

4-[(4-fluorophenyl)-methylsulfamoyl]-N-(3-hydroxyphenyl)thiophene-2-carboxamide (PubChem CID 6503734) has the molecular formula C18H15FN2O4S2 and a molecular weight of 406.46 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)-methylsulfamoyl]-N-(3-hydroxyphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(4-fluorophenyl)-methylsulfamoyl]-N-(3-hydroxyphenyl)thiophene-2-carboxamide
PubChem CID6503734
Molecular FormulaC18H15FN2O4S2
Molecular Weight406.46 g/mol
Exact Mass406.05
IUPAC Name4-[(4-fluorophenyl)-methylsulfamoyl]-N-(3-hydroxyphenyl)thiophene-2-carboxamide
SMILESCN(c1ccc(F)cc1)S(=O)(=O)c1csc(C(=O)Nc2cccc(O)c2)c1
InChIInChI=1S/C18H15FN2O4S2/c1-21(14-7-5-12(19)6-8-14)27(24,25)16-10-17(26-11-16)18(23)20-13-3-2-4-15(22)9-13/h2-11,22H,1H3,(H,20,23)
InChIKeyQVXDYHHWHUDZOT-UHFFFAOYSA-N
XLogP3.67
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)-methylsulfamoyl]-N-(3-hydroxyphenyl)thiophene-2-carboxamide?
The IUPAC name of 4-[(4-fluorophenyl)-methylsulfamoyl]-N-(3-hydroxyphenyl)thiophene-2-carboxamide (CID 6503734) is 4-[(4-fluorophenyl)-methylsulfamoyl]-N-(3-hydroxyphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-[(4-fluorophenyl)-methylsulfamoyl]-N-(3-hydroxyphenyl)thiophene-2-carboxamide?
The canonical SMILES for 4-[(4-fluorophenyl)-methylsulfamoyl]-N-(3-hydroxyphenyl)thiophene-2-carboxamide is CN(c1ccc(F)cc1)S(=O)(=O)c1csc(C(=O)Nc2cccc(O)c2)c1.
What is the InChIKey of 4-[(4-fluorophenyl)-methylsulfamoyl]-N-(3-hydroxyphenyl)thiophene-2-carboxamide?
The InChIKey is QVXDYHHWHUDZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O4S2/c1-21(14-7-5-12(19)6-8-14)27(24,25)16-10-17(26-11-16)18(23)20-13-3-2-4-15(22)9-13/h2-11,22H,1H3,(H,20,23).
What are the key properties of 4-[(4-fluorophenyl)-methylsulfamoyl]-N-(3-hydroxyphenyl)thiophene-2-carboxamide?
4-[(4-fluorophenyl)-methylsulfamoyl]-N-(3-hydroxyphenyl)thiophene-2-carboxamide has a molecular weight of 406.46 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)-methylsulfamoyl]-N-(3-hydroxyphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 6503734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).