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

C10H12N2O2S — CID 5333849

IUPACN-[(E)-[(E)-3-phenylprop-2-enylidene]amino]methanesulfonamide
SMILESCS(=O)(=O)N/N=C/C=C/c1ccccc1
InChIInChI=1S/C10H12N2O2S/c1-15(13,14)12-11-9-5-8-10-6-3-2-4-7-10/h2-9,12H,1H3/b8-5+,11-9+
InChIKeyHFRFBMVIYLRRSC-OSODFHRSSA-N
MW224.29 g/mol
LogP1.23
Rot. Bonds4

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

N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]methanesulfonamide (PubChem CID 5333849) has the molecular formula C10H12N2O2S and a molecular weight of 224.29 g/mol. Its IUPAC name is N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]methanesulfonamide.

Molecular Properties

Compound NameN-[(E)-[(E)-3-phenylprop-2-enylidene]amino]methanesulfonamide
PubChem CID5333849
Molecular FormulaC10H12N2O2S
Molecular Weight224.29 g/mol
Exact Mass224.06
IUPAC NameN-[(E)-[(E)-3-phenylprop-2-enylidene]amino]methanesulfonamide
SMILESCS(=O)(=O)N/N=C/C=C/c1ccccc1
InChIInChI=1S/C10H12N2O2S/c1-15(13,14)12-11-9-5-8-10-6-3-2-4-7-10/h2-9,12H,1H3/b8-5+,11-9+
InChIKeyHFRFBMVIYLRRSC-OSODFHRSSA-N
XLogP1.23
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(Benzylideneamino)ethanesulfonamide
CID 45483186
N'-(1-phenylheptylidene)methanesulfonohydrazide
CID 5333778
N'-(3-phenyl-2-propen-1-ylidene)benzenesulfonohydrazide
CID 5655595
N'-(1-phenylethylidene)methanesulfonohydrazide
CID 5339778
N'-[1-(4-methylphenyl)ethylidene]methanesulfonohydrazide
CID 5333863
N'-(1-phenylpropylidene)methanesulfonohydrazide
CID 5333653
1-Hydroxy-2-methylsulfonyl-2,3,1-benzodiazaborinine
CID 44384687
4-methyl-N-[(E)-2-methylpropylideneamino]benzenesulfonamide
CID 9569816
Methanesulfonic acid, 2-[phenylmethylene]hydrazide
CID 6895714
n-Benzylidenemethanesulfonamide
CID 11084533
N-(4-Fluorobenzylidene)methanesulfonamide
CID 9581565
N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]methanesulfonamide
CID 166437727

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]methanesulfonamide?
The IUPAC name of N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]methanesulfonamide (CID 5333849) is N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]methanesulfonamide.
What is the SMILES notation for N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]methanesulfonamide?
The canonical SMILES for N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]methanesulfonamide is CS(=O)(=O)N/N=C/C=C/c1ccccc1.
What is the InChIKey of N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]methanesulfonamide?
The InChIKey is HFRFBMVIYLRRSC-OSODFHRSSA-N. The full InChI is InChI=1S/C10H12N2O2S/c1-15(13,14)12-11-9-5-8-10-6-3-2-4-7-10/h2-9,12H,1H3/b8-5+,11-9+.
What are the key properties of N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]methanesulfonamide?
N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]methanesulfonamide has a molecular weight of 224.29 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]methanesulfonamide is sourced from PubChem (CID 5333849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).