(E)-N-(2-hydroxy-2-thiophen-2-ylethyl)-2-phenylethenesulfonamide

C14H15NO3S2 — CID 71782490

IUPAC(E)-N-(2-hydroxy-2-thiophen-2-ylethyl)-2-phenylethenesulfonamide
SMILESO=S(=O)(/C=C/c1ccccc1)NCC(O)c1cccs1
InChIInChI=1S/C14H15NO3S2/c16-13(14-7-4-9-19-14)11-15-20(17,18)10-8-12-5-2-1-3-6-12/h1-10,13,15-16H,11H2/b10-8+
InChIKeyLXBYRDFVQHJRLC-CSKARUKUSA-N
MW309.41 g/mol
LogP2.37
Rot. Bonds6

About (E)-N-(2-hydroxy-2-thiophen-2-ylethyl)-2-phenylethenesulfonamide

(E)-N-(2-hydroxy-2-thiophen-2-ylethyl)-2-phenylethenesulfonamide (PubChem CID 71782490) has the molecular formula C14H15NO3S2 and a molecular weight of 309.41 g/mol. Its IUPAC name is (E)-N-(2-hydroxy-2-thiophen-2-ylethyl)-2-phenylethenesulfonamide.

Molecular Properties

Compound Name(E)-N-(2-hydroxy-2-thiophen-2-ylethyl)-2-phenylethenesulfonamide
PubChem CID71782490
Molecular FormulaC14H15NO3S2
Molecular Weight309.41 g/mol
Exact Mass309.05
IUPAC Name(E)-N-(2-hydroxy-2-thiophen-2-ylethyl)-2-phenylethenesulfonamide
SMILESO=S(=O)(/C=C/c1ccccc1)NCC(O)c1cccs1
InChIInChI=1S/C14H15NO3S2/c16-13(14-7-4-9-19-14)11-15-20(17,18)10-8-12-5-2-1-3-6-12/h1-10,13,15-16H,11H2/b10-8+
InChIKeyLXBYRDFVQHJRLC-CSKARUKUSA-N
XLogP2.37
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(E)-2-phenylethenyl]sulfonylamino]-2-thiophen-2-ylacetic acid
CID 115284329
(E)-N-(2-hydroxypentyl)-2-phenylethenesulfonamide
CID 113317403
(E)-N-(3-methyl-1-thiophen-2-ylbutyl)-2-phenylethenesulfonamide
CID 60548872
(E)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-phenylethenesulfonamide
CID 90500202
(E)-N-(2-amino-2-phenylethyl)-2-phenylethenesulfonamide
CID 43605703
(E)-N-ethyl-2-phenylethenesulfonamide
CID 43212835
(E)-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-2-phenylethenesulfonamide
CID 124878567
(2S)-3-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-2-hydroxypropanoic acid
CID 104935897
(E)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-phenylethenesulfonamide
CID 42958034
2-(2-phenylethenylsulfonylamino)acetate
CID 4137274
N-[2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]ethyl]methanesulfonamide
CID 60909200
propan-2-yl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 35522145

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-hydroxy-2-thiophen-2-ylethyl)-2-phenylethenesulfonamide?
The IUPAC name of (E)-N-(2-hydroxy-2-thiophen-2-ylethyl)-2-phenylethenesulfonamide (CID 71782490) is (E)-N-(2-hydroxy-2-thiophen-2-ylethyl)-2-phenylethenesulfonamide.
What is the SMILES notation for (E)-N-(2-hydroxy-2-thiophen-2-ylethyl)-2-phenylethenesulfonamide?
The canonical SMILES for (E)-N-(2-hydroxy-2-thiophen-2-ylethyl)-2-phenylethenesulfonamide is O=S(=O)(/C=C/c1ccccc1)NCC(O)c1cccs1.
What is the InChIKey of (E)-N-(2-hydroxy-2-thiophen-2-ylethyl)-2-phenylethenesulfonamide?
The InChIKey is LXBYRDFVQHJRLC-CSKARUKUSA-N. The full InChI is InChI=1S/C14H15NO3S2/c16-13(14-7-4-9-19-14)11-15-20(17,18)10-8-12-5-2-1-3-6-12/h1-10,13,15-16H,11H2/b10-8+.
What are the key properties of (E)-N-(2-hydroxy-2-thiophen-2-ylethyl)-2-phenylethenesulfonamide?
(E)-N-(2-hydroxy-2-thiophen-2-ylethyl)-2-phenylethenesulfonamide has a molecular weight of 309.41 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-hydroxy-2-thiophen-2-ylethyl)-2-phenylethenesulfonamide is sourced from PubChem (CID 71782490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).