(E)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-phenylethenesulfonamide

C14H19NO4S2 — CID 46604966

IUPAC(E)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-phenylethenesulfonamide
SMILESCCN(C1CCS(=O)(=O)C1)S(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C14H19NO4S2/c1-2-15(14-9-10-20(16,17)12-14)21(18,19)11-8-13-6-4-3-5-7-13/h3-8,11,14H,2,9-10,12H2,1H3/b11-8+
InChIKeyDJSXZYZVCYLACG-DHZHZOJOSA-N
MW329.44 g/mol
LogP1.50
Rot. Bonds5

About (E)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-phenylethenesulfonamide

(E)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-phenylethenesulfonamide (PubChem CID 46604966) has the molecular formula C14H19NO4S2 and a molecular weight of 329.44 g/mol. Its IUPAC name is (E)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-phenylethenesulfonamide.

Molecular Properties

Compound Name(E)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-phenylethenesulfonamide
PubChem CID46604966
Molecular FormulaC14H19NO4S2
Molecular Weight329.44 g/mol
Exact Mass329.08
IUPAC Name(E)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-phenylethenesulfonamide
SMILESCCN(C1CCS(=O)(=O)C1)S(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C14H19NO4S2/c1-2-15(14-9-10-20(16,17)12-14)21(18,19)11-8-13-6-4-3-5-7-13/h3-8,11,14H,2,9-10,12H2,1H3/b11-8+
InChIKeyDJSXZYZVCYLACG-DHZHZOJOSA-N
XLogP1.50
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(Z)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]-2-phenylethenesulfonamide
CID 92934602
(E)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylethenesulfonamide
CID 124840323
N-[benzyl(methyl)sulfamoyl]-N-ethyl-1,1-dioxothiolan-3-amine
CID 70755777
(E)-N-ethyl-2-phenyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]ethenesulfonamide
CID 55986751
2-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylbenzenesulfonamide
CID 51169210
N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylpyridine-3-sulfonamide
CID 94151657
1-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylmethanesulfonamide
CID 83084951
(E)-2-(4-chlorophenyl)-N-ethyl-N-piperidin-4-ylethenesulfonamide
CID 60807810
N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-3,4-dimethylbenzenesulfonamide
CID 7260446
3-[(1,1-dioxothiolan-3-yl)-ethylsulfamoyl]thiophene-2-carboxylic acid
CID 43242228
2-chloro-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-sulfonamide
CID 60716041
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2,3,5,6-tetramethylbenzenesulfonamide
CID 42912908

Frequently Asked Questions

What is the IUPAC name of (E)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-phenylethenesulfonamide?
The IUPAC name of (E)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-phenylethenesulfonamide (CID 46604966) is (E)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-phenylethenesulfonamide.
What is the SMILES notation for (E)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-phenylethenesulfonamide?
The canonical SMILES for (E)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-phenylethenesulfonamide is CCN(C1CCS(=O)(=O)C1)S(=O)(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-phenylethenesulfonamide?
The InChIKey is DJSXZYZVCYLACG-DHZHZOJOSA-N. The full InChI is InChI=1S/C14H19NO4S2/c1-2-15(14-9-10-20(16,17)12-14)21(18,19)11-8-13-6-4-3-5-7-13/h3-8,11,14H,2,9-10,12H2,1H3/b11-8+.
What are the key properties of (E)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-phenylethenesulfonamide?
(E)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-phenylethenesulfonamide has a molecular weight of 329.44 g/mol, XLogP of 1.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-phenylethenesulfonamide is sourced from PubChem (CID 46604966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).