(NE)-N-[(E)-3-phenylprop-2-enylidene]methanesulfonamide

C10H11NO2S — CID 10774779

IUPAC(NE)-N-[(E)-3-phenylprop-2-enylidene]methanesulfonamide
SMILESCS(=O)(=O)/N=C/C=C/c1ccccc1
InChIInChI=1S/C10H11NO2S/c1-14(12,13)11-9-5-8-10-6-3-2-4-7-10/h2-9H,1H3/b8-5+,11-9+
InChIKeyXLOQLIJPVAXHCC-OSODFHRSSA-N
MW209.27 g/mol
LogP1.73
Rot. Bonds3

About (NE)-N-[(E)-3-phenylprop-2-enylidene]methanesulfonamide

(NE)-N-[(E)-3-phenylprop-2-enylidene]methanesulfonamide (PubChem CID 10774779) has the molecular formula C10H11NO2S and a molecular weight of 209.27 g/mol. Its IUPAC name is (NE)-N-[(E)-3-phenylprop-2-enylidene]methanesulfonamide.

Molecular Properties

Compound Name(NE)-N-[(E)-3-phenylprop-2-enylidene]methanesulfonamide
PubChem CID10774779
Molecular FormulaC10H11NO2S
Molecular Weight209.27 g/mol
Exact Mass209.05
IUPAC Name(NE)-N-[(E)-3-phenylprop-2-enylidene]methanesulfonamide
SMILESCS(=O)(=O)/N=C/C=C/c1ccccc1
InChIInChI=1S/C10H11NO2S/c1-14(12,13)11-9-5-8-10-6-3-2-4-7-10/h2-9H,1H3/b8-5+,11-9+
InChIKeyXLOQLIJPVAXHCC-OSODFHRSSA-N
XLogP1.73
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(Benzylideneamino)ethanesulfonamide
CID 45483186
1-Hydroxy-2-methylsulfonyl-2,3,1-benzodiazaborinine
CID 44384687
2-phenyl-N-propylethene-1-sulfonamide
CID 2470551
(NE)-N-[(4-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 17748530
(S)-N-benzylidene-2-methylpropane-2-sulfinamide
CID 68520932
(NE)-N-[(2-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 89500889
(NE)-N-[(4-fluorophenyl)methylidene]-2-methylpropane-2-sulfonamide
CID 135035056
Methanesulfonic acid, 2-[phenylmethylene]hydrazide
CID 6895714
N,N-diethyl-2-phenylethene-1-sulfonamide
CID 5369397
(NE)-N-benzylidene-1,1,1-trifluoromethanesulfonamide
CID 13678597
N-(4-Fluorobenzylidene)methanesulfonamide
CID 9581565
N-(4-Trifluoromethylbenzylidene)methanesulfonamide
CID 9581578

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(E)-3-phenylprop-2-enylidene]methanesulfonamide?
The IUPAC name of (NE)-N-[(E)-3-phenylprop-2-enylidene]methanesulfonamide (CID 10774779) is (NE)-N-[(E)-3-phenylprop-2-enylidene]methanesulfonamide.
What is the SMILES notation for (NE)-N-[(E)-3-phenylprop-2-enylidene]methanesulfonamide?
The canonical SMILES for (NE)-N-[(E)-3-phenylprop-2-enylidene]methanesulfonamide is CS(=O)(=O)/N=C/C=C/c1ccccc1.
What is the InChIKey of (NE)-N-[(E)-3-phenylprop-2-enylidene]methanesulfonamide?
The InChIKey is XLOQLIJPVAXHCC-OSODFHRSSA-N. The full InChI is InChI=1S/C10H11NO2S/c1-14(12,13)11-9-5-8-10-6-3-2-4-7-10/h2-9H,1H3/b8-5+,11-9+.
What are the key properties of (NE)-N-[(E)-3-phenylprop-2-enylidene]methanesulfonamide?
(NE)-N-[(E)-3-phenylprop-2-enylidene]methanesulfonamide has a molecular weight of 209.27 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(E)-3-phenylprop-2-enylidene]methanesulfonamide is sourced from PubChem (CID 10774779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).