(E)-N-ethyl-N-(3-hydroxypropyl)-2-phenylethenesulfonamide

C13H19NO3S — CID 115755506

IUPAC(E)-N-ethyl-N-(3-hydroxypropyl)-2-phenylethenesulfonamide
SMILESCCN(CCCO)S(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C13H19NO3S/c1-2-14(10-6-11-15)18(16,17)12-9-13-7-4-3-5-8-13/h3-5,7-9,12,15H,2,6,10-11H2,1H3/b12-9+
InChIKeyZDFLWISSOXEBNY-FMIVXFBMSA-N
MW269.37 g/mol
LogP1.69
Rot. Bonds7

About (E)-N-ethyl-N-(3-hydroxypropyl)-2-phenylethenesulfonamide

(E)-N-ethyl-N-(3-hydroxypropyl)-2-phenylethenesulfonamide (PubChem CID 115755506) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is (E)-N-ethyl-N-(3-hydroxypropyl)-2-phenylethenesulfonamide.

Molecular Properties

Compound Name(E)-N-ethyl-N-(3-hydroxypropyl)-2-phenylethenesulfonamide
PubChem CID115755506
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name(E)-N-ethyl-N-(3-hydroxypropyl)-2-phenylethenesulfonamide
SMILESCCN(CCCO)S(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C13H19NO3S/c1-2-14(10-6-11-15)18(16,17)12-9-13-7-4-3-5-8-13/h3-5,7-9,12,15H,2,6,10-11H2,1H3/b12-9+
InChIKeyZDFLWISSOXEBNY-FMIVXFBMSA-N
XLogP1.69
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[ethyl-[(E)-2-phenylethenyl]sulfonylamino]propanoic acid
CID 55028770
(E)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-phenylethenesulfonamide
CID 9301914
CID 161089433
CID 161089433
(E)-N-(3-aminopropyl)-N-methyl-2-phenylethenesulfonamide
CID 113285744
hydride;2-phenylethenesulfonic acid;rubidium(1+)
CID 173085855
CID 159387083
CID 159387083
(1E,3E)-N-butyl-4-phenyl-N-prop-2-enylbuta-1,3-diene-1-sulfonamide
CID 101130661
2-bromo-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 115755429
2-[(2-amino-2-oxoethyl)-[(E)-2-phenylethenyl]sulfonylamino]acetic acid
CID 107435617
(E)-N-ethyl-N-(4-methylphenyl)-2-phenylethenesulfonamide
CID 13264624
pentan-1-ol;(E)-stilbene
CID 172553874
N,N-bis(3-hydroxypropyl)-3-phenylprop-2-enamide
CID 176654258

Frequently Asked Questions

What is the IUPAC name of (E)-N-ethyl-N-(3-hydroxypropyl)-2-phenylethenesulfonamide?
The IUPAC name of (E)-N-ethyl-N-(3-hydroxypropyl)-2-phenylethenesulfonamide (CID 115755506) is (E)-N-ethyl-N-(3-hydroxypropyl)-2-phenylethenesulfonamide.
What is the SMILES notation for (E)-N-ethyl-N-(3-hydroxypropyl)-2-phenylethenesulfonamide?
The canonical SMILES for (E)-N-ethyl-N-(3-hydroxypropyl)-2-phenylethenesulfonamide is CCN(CCCO)S(=O)(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-N-ethyl-N-(3-hydroxypropyl)-2-phenylethenesulfonamide?
The InChIKey is ZDFLWISSOXEBNY-FMIVXFBMSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-2-14(10-6-11-15)18(16,17)12-9-13-7-4-3-5-8-13/h3-5,7-9,12,15H,2,6,10-11H2,1H3/b12-9+.
What are the key properties of (E)-N-ethyl-N-(3-hydroxypropyl)-2-phenylethenesulfonamide?
(E)-N-ethyl-N-(3-hydroxypropyl)-2-phenylethenesulfonamide has a molecular weight of 269.37 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-N-(3-hydroxypropyl)-2-phenylethenesulfonamide is sourced from PubChem (CID 115755506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).