5-ethyl-N-(4-hydroxy-3-naphthalen-1-ylnaphthalen-1-yl)thiophene-2-sulfonamide

C26H21NO3S2 — CID 143906908

IUPAC5-ethyl-N-(4-hydroxy-3-naphthalen-1-ylnaphthalen-1-yl)thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2cc(-c3cccc4ccccc34)c(O)c3ccccc23)s1
InChIInChI=1S/C26H21NO3S2/c1-2-18-14-15-25(31-18)32(29,30)27-24-16-23(26(28)22-12-6-5-11-21(22)24)20-13-7-9-17-8-3-4-10-19(17)20/h3-16,27-28H,2H2,1H3
InChIKeyAXRSOCVDWUYOES-UHFFFAOYSA-N
MW459.59 g/mol
LogP6.79
Rot. Bonds5

About 5-ethyl-N-(4-hydroxy-3-naphthalen-1-ylnaphthalen-1-yl)thiophene-2-sulfonamide

5-ethyl-N-(4-hydroxy-3-naphthalen-1-ylnaphthalen-1-yl)thiophene-2-sulfonamide (PubChem CID 143906908) has the molecular formula C26H21NO3S2 and a molecular weight of 459.59 g/mol. Its IUPAC name is 5-ethyl-N-(4-hydroxy-3-naphthalen-1-ylnaphthalen-1-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-ethyl-N-(4-hydroxy-3-naphthalen-1-ylnaphthalen-1-yl)thiophene-2-sulfonamide
PubChem CID143906908
Molecular FormulaC26H21NO3S2
Molecular Weight459.59 g/mol
Exact Mass459.10
IUPAC Name5-ethyl-N-(4-hydroxy-3-naphthalen-1-ylnaphthalen-1-yl)thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2cc(-c3cccc4ccccc34)c(O)c3ccccc23)s1
InChIInChI=1S/C26H21NO3S2/c1-2-18-14-15-25(31-18)32(29,30)27-24-16-23(26(28)22-12-6-5-11-21(22)24)20-13-7-9-17-8-3-4-10-19(17)20/h3-16,27-28H,2H2,1H3
InChIKeyAXRSOCVDWUYOES-UHFFFAOYSA-N
XLogP6.79
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.59
LogP ≤ 56.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(4-hydroxy-3-naphthalen-1-ylnaphthalen-1-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-ethyl-N-(4-hydroxy-3-naphthalen-1-ylnaphthalen-1-yl)thiophene-2-sulfonamide (CID 143906908) is 5-ethyl-N-(4-hydroxy-3-naphthalen-1-ylnaphthalen-1-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-ethyl-N-(4-hydroxy-3-naphthalen-1-ylnaphthalen-1-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-ethyl-N-(4-hydroxy-3-naphthalen-1-ylnaphthalen-1-yl)thiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)Nc2cc(-c3cccc4ccccc34)c(O)c3ccccc23)s1.
What is the InChIKey of 5-ethyl-N-(4-hydroxy-3-naphthalen-1-ylnaphthalen-1-yl)thiophene-2-sulfonamide?
The InChIKey is AXRSOCVDWUYOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21NO3S2/c1-2-18-14-15-25(31-18)32(29,30)27-24-16-23(26(28)22-12-6-5-11-21(22)24)20-13-7-9-17-8-3-4-10-19(17)20/h3-16,27-28H,2H2,1H3.
What are the key properties of 5-ethyl-N-(4-hydroxy-3-naphthalen-1-ylnaphthalen-1-yl)thiophene-2-sulfonamide?
5-ethyl-N-(4-hydroxy-3-naphthalen-1-ylnaphthalen-1-yl)thiophene-2-sulfonamide has a molecular weight of 459.59 g/mol, XLogP of 6.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(4-hydroxy-3-naphthalen-1-ylnaphthalen-1-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 143906908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).