(E)-N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-phenylethenesulfonamide

C15H17NO3S2 — CID 86264126

IUPAC(E)-N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-phenylethenesulfonamide
SMILESO=S(=O)(/C=C/c1ccccc1)NCCC(O)c1ccsc1
InChIInChI=1S/C15H17NO3S2/c17-15(14-7-10-20-12-14)6-9-16-21(18,19)11-8-13-4-2-1-3-5-13/h1-5,7-8,10-12,15-17H,6,9H2/b11-8+
InChIKeyHBRDREZTZIKDFX-DHZHZOJOSA-N
MW323.44 g/mol
LogP2.76
Rot. Bonds7

About (E)-N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-phenylethenesulfonamide

(E)-N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-phenylethenesulfonamide (PubChem CID 86264126) has the molecular formula C15H17NO3S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is (E)-N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-phenylethenesulfonamide.

Molecular Properties

Compound Name(E)-N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-phenylethenesulfonamide
PubChem CID86264126
Molecular FormulaC15H17NO3S2
Molecular Weight323.44 g/mol
Exact Mass323.06
IUPAC Name(E)-N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-phenylethenesulfonamide
SMILESO=S(=O)(/C=C/c1ccccc1)NCCC(O)c1ccsc1
InChIInChI=1S/C15H17NO3S2/c17-15(14-7-10-20-12-14)6-9-16-21(18,19)11-8-13-4-2-1-3-5-13/h1-5,7-8,10-12,15-17H,6,9H2/b11-8+
InChIKeyHBRDREZTZIKDFX-DHZHZOJOSA-N
XLogP2.76
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-phenylethenesulfonamide?
The IUPAC name of (E)-N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-phenylethenesulfonamide (CID 86264126) is (E)-N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-phenylethenesulfonamide.
What is the SMILES notation for (E)-N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-phenylethenesulfonamide?
The canonical SMILES for (E)-N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-phenylethenesulfonamide is O=S(=O)(/C=C/c1ccccc1)NCCC(O)c1ccsc1.
What is the InChIKey of (E)-N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-phenylethenesulfonamide?
The InChIKey is HBRDREZTZIKDFX-DHZHZOJOSA-N. The full InChI is InChI=1S/C15H17NO3S2/c17-15(14-7-10-20-12-14)6-9-16-21(18,19)11-8-13-4-2-1-3-5-13/h1-5,7-8,10-12,15-17H,6,9H2/b11-8+.
What are the key properties of (E)-N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-phenylethenesulfonamide?
(E)-N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-phenylethenesulfonamide has a molecular weight of 323.44 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-phenylethenesulfonamide is sourced from PubChem (CID 86264126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).