5-(5-fluoro-3-pyridinyl)-N-[2-(4-hydroxyphenyl)ethyl]thiophene-2-sulfonamide

C17H15FN2O3S2 — CID 171914821

IUPAC5-(5-fluoro-3-pyridinyl)-N-[2-(4-hydroxyphenyl)ethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCc1ccc(O)cc1)c1ccc(-c2cncc(F)c2)s1
InChIInChI=1S/C17H15FN2O3S2/c18-14-9-13(10-19-11-14)16-5-6-17(24-16)25(22,23)20-8-7-12-1-3-15(21)4-2-12/h1-6,9-11,20-21H,7-8H2
InChIKeyKRNCNPJHMBOCJJ-UHFFFAOYSA-N
MW378.45 g/mol
LogP3.18
Rot. Bonds6

About 5-(5-fluoro-3-pyridinyl)-N-[2-(4-hydroxyphenyl)ethyl]thiophene-2-sulfonamide

5-(5-fluoro-3-pyridinyl)-N-[2-(4-hydroxyphenyl)ethyl]thiophene-2-sulfonamide (PubChem CID 171914821) has the molecular formula C17H15FN2O3S2 and a molecular weight of 378.45 g/mol. Its IUPAC name is 5-(5-fluoro-3-pyridinyl)-N-[2-(4-hydroxyphenyl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(5-fluoro-3-pyridinyl)-N-[2-(4-hydroxyphenyl)ethyl]thiophene-2-sulfonamide
PubChem CID171914821
Molecular FormulaC17H15FN2O3S2
Molecular Weight378.45 g/mol
Exact Mass378.05
IUPAC Name5-(5-fluoro-3-pyridinyl)-N-[2-(4-hydroxyphenyl)ethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCc1ccc(O)cc1)c1ccc(-c2cncc(F)c2)s1
InChIInChI=1S/C17H15FN2O3S2/c18-14-9-13(10-19-11-14)16-5-6-17(24-16)25(22,23)20-8-7-12-1-3-15(21)4-2-12/h1-6,9-11,20-21H,7-8H2
InChIKeyKRNCNPJHMBOCJJ-UHFFFAOYSA-N
XLogP3.18
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-3-pyridinyl)-N-[2-(4-hydroxyphenyl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-(5-fluoro-3-pyridinyl)-N-[2-(4-hydroxyphenyl)ethyl]thiophene-2-sulfonamide (CID 171914821) is 5-(5-fluoro-3-pyridinyl)-N-[2-(4-hydroxyphenyl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-(5-fluoro-3-pyridinyl)-N-[2-(4-hydroxyphenyl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-(5-fluoro-3-pyridinyl)-N-[2-(4-hydroxyphenyl)ethyl]thiophene-2-sulfonamide is O=S(=O)(NCCc1ccc(O)cc1)c1ccc(-c2cncc(F)c2)s1.
What is the InChIKey of 5-(5-fluoro-3-pyridinyl)-N-[2-(4-hydroxyphenyl)ethyl]thiophene-2-sulfonamide?
The InChIKey is KRNCNPJHMBOCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O3S2/c18-14-9-13(10-19-11-14)16-5-6-17(24-16)25(22,23)20-8-7-12-1-3-15(21)4-2-12/h1-6,9-11,20-21H,7-8H2.
What are the key properties of 5-(5-fluoro-3-pyridinyl)-N-[2-(4-hydroxyphenyl)ethyl]thiophene-2-sulfonamide?
5-(5-fluoro-3-pyridinyl)-N-[2-(4-hydroxyphenyl)ethyl]thiophene-2-sulfonamide has a molecular weight of 378.45 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-3-pyridinyl)-N-[2-(4-hydroxyphenyl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 171914821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).