(NE)-N-[(E)-but-2-enylidene]-4-methylbenzenesulfonamide

C11H13NO2S — CID 177419048

IUPAC(NE)-N-[(E)-but-2-enylidene]-4-methylbenzenesulfonamide
SMILESC/C=C/C=N/S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C11H13NO2S/c1-3-4-9-12-15(13,14)11-7-5-10(2)6-8-11/h3-9H,1-2H3/b4-3+,12-9+
InChIKeyVYDDYHOPGWAWRR-GMHKHPCXSA-N
MW223.30 g/mol
LogP2.33
Rot. Bonds3

About (NE)-N-[(E)-but-2-enylidene]-4-methylbenzenesulfonamide

(NE)-N-[(E)-but-2-enylidene]-4-methylbenzenesulfonamide (PubChem CID 177419048) has the molecular formula C11H13NO2S and a molecular weight of 223.30 g/mol. Its IUPAC name is (NE)-N-[(E)-but-2-enylidene]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name(NE)-N-[(E)-but-2-enylidene]-4-methylbenzenesulfonamide
PubChem CID177419048
Molecular FormulaC11H13NO2S
Molecular Weight223.30 g/mol
Exact Mass223.07
IUPAC Name(NE)-N-[(E)-but-2-enylidene]-4-methylbenzenesulfonamide
SMILESC/C=C/C=N/S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C11H13NO2S/c1-3-4-9-12-15(13,14)11-7-5-10(2)6-8-11/h3-9H,1-2H3/b4-3+,12-9+
InChIKeyVYDDYHOPGWAWRR-GMHKHPCXSA-N
XLogP2.33
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 52.33
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

(NE)-N-[(E)-but-2-enylidene]benzenesulfonamide
CID 11830668
sodium [(E)-[(E)-but-2-enylidene]amino]-(4-methylphenyl)sulfonylazanide
CID 134891456
(NE)-4-methyl-N-pentylidenebenzenesulfonamide
CID 10911631
(NZ)-4-methyl-N-pentylidenebenzenesulfonamide
CID 134996221
4-methyl-N-[(2,4,6-trimethylphenyl)methylidene]benzenesulfonamide
CID 86015739
(NZ)-4-methyl-N-[(3-methylthiophen-2-yl)methylidene]benzenesulfonamide
CID 110518897
N-ethyl-N-methyl-N'-(4-methylphenyl)sulfonylmethanimidamide
CID 146170089
N-(4-methylphenyl)but-2-en-1-imine
CID 71345693
N,N-bis(2-hydroxyethyl)-N'-(4-methylphenyl)sulfonylmethanimidamide
CID 42637465
ethyl (2E)-2-(4-methylphenyl)sulfonyliminoacetate
CID 10923109
4-methyl-N-(thiophen-2-ylmethylidene)benzenesulfonamide
CID 693815
4-methyl-N-[4,4,4-trifluoro-2-(2,2,2-trifluoroethyl)butylidene]benzenesulfonamide
CID 152780195

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(E)-but-2-enylidene]-4-methylbenzenesulfonamide?
The IUPAC name of (NE)-N-[(E)-but-2-enylidene]-4-methylbenzenesulfonamide (CID 177419048) is (NE)-N-[(E)-but-2-enylidene]-4-methylbenzenesulfonamide.
What is the SMILES notation for (NE)-N-[(E)-but-2-enylidene]-4-methylbenzenesulfonamide?
The canonical SMILES for (NE)-N-[(E)-but-2-enylidene]-4-methylbenzenesulfonamide is C/C=C/C=N/S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of (NE)-N-[(E)-but-2-enylidene]-4-methylbenzenesulfonamide?
The InChIKey is VYDDYHOPGWAWRR-GMHKHPCXSA-N. The full InChI is InChI=1S/C11H13NO2S/c1-3-4-9-12-15(13,14)11-7-5-10(2)6-8-11/h3-9H,1-2H3/b4-3+,12-9+.
What are the key properties of (NE)-N-[(E)-but-2-enylidene]-4-methylbenzenesulfonamide?
(NE)-N-[(E)-but-2-enylidene]-4-methylbenzenesulfonamide has a molecular weight of 223.30 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(E)-but-2-enylidene]-4-methylbenzenesulfonamide is sourced from PubChem (CID 177419048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).