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

C15H17NO3S2 — CID 90500202

IUPAC(E)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-phenylethenesulfonamide
SMILESCC(O)(CNS(=O)(=O)/C=C/c1ccccc1)c1cccs1
InChIInChI=1S/C15H17NO3S2/c1-15(17,14-8-5-10-20-14)12-16-21(18,19)11-9-13-6-3-2-4-7-13/h2-11,16-17H,12H2,1H3/b11-9+
InChIKeyOFWPXWLAPGFQES-PKNBQFBNSA-N
MW323.44 g/mol
LogP2.55
Rot. Bonds6

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

(E)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-phenylethenesulfonamide (PubChem CID 90500202) has the molecular formula C15H17NO3S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is (E)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-phenylethenesulfonamide.

Molecular Properties

Compound Name(E)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-phenylethenesulfonamide
PubChem CID90500202
Molecular FormulaC15H17NO3S2
Molecular Weight323.44 g/mol
Exact Mass323.06
IUPAC Name(E)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-phenylethenesulfonamide
SMILESCC(O)(CNS(=O)(=O)/C=C/c1ccccc1)c1cccs1
InChIInChI=1S/C15H17NO3S2/c1-15(17,14-8-5-10-20-14)12-16-21(18,19)11-9-13-6-3-2-4-7-13/h2-11,16-17H,12H2,1H3/b11-9+
InChIKeyOFWPXWLAPGFQES-PKNBQFBNSA-N
XLogP2.55
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-2-phenylethenesulfonamide
CID 124878567
(E)-N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2-phenylethenesulfonamide
CID 117054904
N-(2-hydroxy-2-thiophen-2-ylpropyl)butane-1-sulfonamide
CID 71782464
3-fluoro-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]propane-1-sulfonamide
CID 97258053
(E)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-phenylethenesulfonamide
CID 90523087
(E)-N-(2-hydroxy-2-thiophen-2-ylethyl)-2-phenylethenesulfonamide
CID 71782490
(E)-N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-2-phenylethenesulfonamide
CID 95984419
(E)-N-ethyl-2-phenylethenesulfonamide
CID 43212835
N-(2-hydroxy-2-thiophen-2-ylpropyl)pyridine-3-sulfonamide
CID 71782466
N-(2-hydroxy-2-thiophen-2-ylpropyl)-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 71796922
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2,2-dimethylpropanamide
CID 71782337
methyl N-(2-hydroxy-2-thiophen-2-ylpropyl)carbamate
CID 90499737

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-phenylethenesulfonamide?
The IUPAC name of (E)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-phenylethenesulfonamide (CID 90500202) is (E)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-phenylethenesulfonamide.
What is the SMILES notation for (E)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-phenylethenesulfonamide?
The canonical SMILES for (E)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-phenylethenesulfonamide is CC(O)(CNS(=O)(=O)/C=C/c1ccccc1)c1cccs1.
What is the InChIKey of (E)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-phenylethenesulfonamide?
The InChIKey is OFWPXWLAPGFQES-PKNBQFBNSA-N. The full InChI is InChI=1S/C15H17NO3S2/c1-15(17,14-8-5-10-20-14)12-16-21(18,19)11-9-13-6-3-2-4-7-13/h2-11,16-17H,12H2,1H3/b11-9+.
What are the key properties of (E)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-phenylethenesulfonamide?
(E)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-phenylethenesulfonamide has a molecular weight of 323.44 g/mol, XLogP of 2.55, 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-ylpropyl)-2-phenylethenesulfonamide is sourced from PubChem (CID 90500202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).