(E)-N-(2-hydroxypentyl)-2-phenylethenesulfonamide

C13H19NO3S — CID 113317403

IUPAC(E)-N-(2-hydroxypentyl)-2-phenylethenesulfonamide
SMILESCCCC(O)CNS(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C13H19NO3S/c1-2-6-13(15)11-14-18(16,17)10-9-12-7-4-3-5-8-12/h3-5,7-10,13-15H,2,6,11H2,1H3/b10-9+
InChIKeyFJRILKDKJVOWPQ-MDZDMXLPSA-N
MW269.37 g/mol
LogP1.74
Rot. Bonds7

About (E)-N-(2-hydroxypentyl)-2-phenylethenesulfonamide

(E)-N-(2-hydroxypentyl)-2-phenylethenesulfonamide (PubChem CID 113317403) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is (E)-N-(2-hydroxypentyl)-2-phenylethenesulfonamide.

Molecular Properties

Compound Name(E)-N-(2-hydroxypentyl)-2-phenylethenesulfonamide
PubChem CID113317403
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name(E)-N-(2-hydroxypentyl)-2-phenylethenesulfonamide
SMILESCCCC(O)CNS(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C13H19NO3S/c1-2-6-13(15)11-14-18(16,17)10-9-12-7-4-3-5-8-12/h3-5,7-10,13-15H,2,6,11H2,1H3/b10-9+
InChIKeyFJRILKDKJVOWPQ-MDZDMXLPSA-N
XLogP1.74
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-N-ethyl-2-phenylethenesulfonamide
CID 43212835
(E)-N-(2-hydroxy-2-thiophen-2-ylethyl)-2-phenylethenesulfonamide
CID 71782490
(E)-N-(2-amino-2-phenylethyl)-2-phenylethenesulfonamide
CID 43605703
(E)-N-[2-(ethylamino)ethyl]-2-phenylethenesulfonamide
CID 55100588
propyl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 35522147
2-(2-phenylethenylsulfonylamino)acetate
CID 4137274
(E)-N-(1-hydroxybutan-2-yl)-2-phenylethenesulfonamide
CID 43501665
propan-2-yl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 35522145
(E)-N-(2-aminoethyl)-2-phenylethenesulfonamide
CID 43603519
(E)-N-methyl-2-phenylethenesulfonamide
CID 2427246
N-[(2S)-1-hydroxypropan-2-yl]-2-phenylethenesulfonamide
CID 71873114
[(2S)-1-amino-1-oxopropan-2-yl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 2571122

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-hydroxypentyl)-2-phenylethenesulfonamide?
The IUPAC name of (E)-N-(2-hydroxypentyl)-2-phenylethenesulfonamide (CID 113317403) is (E)-N-(2-hydroxypentyl)-2-phenylethenesulfonamide.
What is the SMILES notation for (E)-N-(2-hydroxypentyl)-2-phenylethenesulfonamide?
The canonical SMILES for (E)-N-(2-hydroxypentyl)-2-phenylethenesulfonamide is CCCC(O)CNS(=O)(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-N-(2-hydroxypentyl)-2-phenylethenesulfonamide?
The InChIKey is FJRILKDKJVOWPQ-MDZDMXLPSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-2-6-13(15)11-14-18(16,17)10-9-12-7-4-3-5-8-12/h3-5,7-10,13-15H,2,6,11H2,1H3/b10-9+.
What are the key properties of (E)-N-(2-hydroxypentyl)-2-phenylethenesulfonamide?
(E)-N-(2-hydroxypentyl)-2-phenylethenesulfonamide has a molecular weight of 269.37 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-hydroxypentyl)-2-phenylethenesulfonamide is sourced from PubChem (CID 113317403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).