(NE)-N-(2-ethoxypropylidene)-4-methylbenzenesulfonamide

C12H17NO3S — CID 23599394

IUPAC(NE)-N-(2-ethoxypropylidene)-4-methylbenzenesulfonamide
SMILESCCOC(C)/C=N/S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C12H17NO3S/c1-4-16-11(3)9-13-17(14,15)12-7-5-10(2)6-8-12/h5-9,11H,4H2,1-3H3/b13-9+
InChIKeyJAYQTKJIZRFGBT-UKTHLTGXSA-N
MW255.34 g/mol
LogP2.18
Rot. Bonds5

About (NE)-N-(2-ethoxypropylidene)-4-methylbenzenesulfonamide

(NE)-N-(2-ethoxypropylidene)-4-methylbenzenesulfonamide (PubChem CID 23599394) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is (NE)-N-(2-ethoxypropylidene)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name(NE)-N-(2-ethoxypropylidene)-4-methylbenzenesulfonamide
PubChem CID23599394
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name(NE)-N-(2-ethoxypropylidene)-4-methylbenzenesulfonamide
SMILESCCOC(C)/C=N/S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C12H17NO3S/c1-4-16-11(3)9-13-17(14,15)12-7-5-10(2)6-8-12/h5-9,11H,4H2,1-3H3/b13-9+
InChIKeyJAYQTKJIZRFGBT-UKTHLTGXSA-N
XLogP2.18
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2E)-2-(4-methylphenyl)sulfonyliminoacetate
CID 10923109
4-methyl-N-[4,4,4-trifluoro-2-(2,2,2-trifluoroethyl)butylidene]benzenesulfonamide
CID 152780195
(NE)-4-methyl-N-pentylidenebenzenesulfonamide
CID 10911631
N-ethyl-N-methyl-N'-(4-methylphenyl)sulfonylmethanimidamide
CID 146170089
(NZ)-4-methyl-N-pentylidenebenzenesulfonamide
CID 134996221
4-methyl-N-[(2,4,6-trimethylphenyl)methylidene]benzenesulfonamide
CID 86015739
(NE)-N-[(E)-but-2-enylidene]-4-methylbenzenesulfonamide
CID 177419048
ethyl 2-(4-methylphenyl)sulfonylpropanoate
CID 10848678
(NE)-N-(2-adamantylmethylidene)-4-methylbenzenesulfonamide
CID 12033708
N,N-bis(2-hydroxyethyl)-N'-(4-methylphenyl)sulfonylmethanimidamide
CID 42637465
N-[(E)-2-diethoxyphosphorylpropylideneamino]-4-methylbenzenesulfonamide
CID 11760221
methyl (E,4S,5S)-4-ethoxy-5-[(4-methylphenyl)sulfonylamino]hex-2-enoate
CID 24764386

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(2-ethoxypropylidene)-4-methylbenzenesulfonamide?
The IUPAC name of (NE)-N-(2-ethoxypropylidene)-4-methylbenzenesulfonamide (CID 23599394) is (NE)-N-(2-ethoxypropylidene)-4-methylbenzenesulfonamide.
What is the SMILES notation for (NE)-N-(2-ethoxypropylidene)-4-methylbenzenesulfonamide?
The canonical SMILES for (NE)-N-(2-ethoxypropylidene)-4-methylbenzenesulfonamide is CCOC(C)/C=N/S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of (NE)-N-(2-ethoxypropylidene)-4-methylbenzenesulfonamide?
The InChIKey is JAYQTKJIZRFGBT-UKTHLTGXSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-4-16-11(3)9-13-17(14,15)12-7-5-10(2)6-8-12/h5-9,11H,4H2,1-3H3/b13-9+.
What are the key properties of (NE)-N-(2-ethoxypropylidene)-4-methylbenzenesulfonamide?
(NE)-N-(2-ethoxypropylidene)-4-methylbenzenesulfonamide has a molecular weight of 255.34 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(2-ethoxypropylidene)-4-methylbenzenesulfonamide is sourced from PubChem (CID 23599394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).