(NE)-N-[(4-chlorophenyl)methylidene]-2-trimethylsilylethanesulfonamide

C12H18ClNO2SSi — CID 11141225

IUPAC(NE)-N-[(4-chlorophenyl)methylidene]-2-trimethylsilylethanesulfonamide
SMILESC[Si](C)(C)CCS(=O)(=O)/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C12H18ClNO2SSi/c1-18(2,3)9-8-17(15,16)14-10-11-4-6-12(13)7-5-11/h4-7,10H,8-9H2,1-3H3/b14-10+
InChIKeyAHLGMSRDDCMAFU-GXDHUFHOSA-N
MW303.89 g/mol
LogP3.43
Rot. Bonds5

About (NE)-N-[(4-chlorophenyl)methylidene]-2-trimethylsilylethanesulfonamide

(NE)-N-[(4-chlorophenyl)methylidene]-2-trimethylsilylethanesulfonamide (PubChem CID 11141225) has the molecular formula C12H18ClNO2SSi and a molecular weight of 303.89 g/mol. Its IUPAC name is (NE)-N-[(4-chlorophenyl)methylidene]-2-trimethylsilylethanesulfonamide.

Molecular Properties

Compound Name(NE)-N-[(4-chlorophenyl)methylidene]-2-trimethylsilylethanesulfonamide
PubChem CID11141225
Molecular FormulaC12H18ClNO2SSi
Molecular Weight303.89 g/mol
Exact Mass303.05
IUPAC Name(NE)-N-[(4-chlorophenyl)methylidene]-2-trimethylsilylethanesulfonamide
SMILESC[Si](C)(C)CCS(=O)(=O)/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C12H18ClNO2SSi/c1-18(2,3)9-8-17(15,16)14-10-11-4-6-12(13)7-5-11/h4-7,10H,8-9H2,1-3H3/b14-10+
InChIKeyAHLGMSRDDCMAFU-GXDHUFHOSA-N
XLogP3.43
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.89
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(NE)-N-benzylidene-2-trimethylsilylethanesulfonamide
CID 10825874
(NE)-N-[(E)-3-phenylprop-2-enylidene]-2-trimethylsilylethanesulfonamide
CID 10827733
(S)-N-(4-chlorobenzylidene)-2-methylpropane-2-sulfinamide
CID 11817387
(S)-N-[(1E)-(4-chlorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 12171905
(NE)-N-[(4-chlorophenyl)methylidene]methanesulfonamide
CID 53343298
(NE,S)-N-[(4-chloro-2-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 57782005
(NE,R)-N-[(4-chloro-2-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 58048503
(NE,R)-N-[(4-chloro-3-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 58109657
(R,E)-N-(4-Chloro-2-fluorobenzylidene)-2-methylpropane-2-sulfinamide
CID 67122838
(R)-(+)-2-methyl-propane-2-sulfinic acid 1-(4-chloro-2-fluoro-phenyl)-meth-(E)-ylideneamide
CID 67122839
(S,E)-N-(4-Chloro-2-fluorobenzylidene)-2-methylpropane-2-sulfinamide
CID 70993658
(R)-N-[(4-chloro-3-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 71033001

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(4-chlorophenyl)methylidene]-2-trimethylsilylethanesulfonamide?
The IUPAC name of (NE)-N-[(4-chlorophenyl)methylidene]-2-trimethylsilylethanesulfonamide (CID 11141225) is (NE)-N-[(4-chlorophenyl)methylidene]-2-trimethylsilylethanesulfonamide.
What is the SMILES notation for (NE)-N-[(4-chlorophenyl)methylidene]-2-trimethylsilylethanesulfonamide?
The canonical SMILES for (NE)-N-[(4-chlorophenyl)methylidene]-2-trimethylsilylethanesulfonamide is C[Si](C)(C)CCS(=O)(=O)/N=C/c1ccc(Cl)cc1.
What is the InChIKey of (NE)-N-[(4-chlorophenyl)methylidene]-2-trimethylsilylethanesulfonamide?
The InChIKey is AHLGMSRDDCMAFU-GXDHUFHOSA-N. The full InChI is InChI=1S/C12H18ClNO2SSi/c1-18(2,3)9-8-17(15,16)14-10-11-4-6-12(13)7-5-11/h4-7,10H,8-9H2,1-3H3/b14-10+.
What are the key properties of (NE)-N-[(4-chlorophenyl)methylidene]-2-trimethylsilylethanesulfonamide?
(NE)-N-[(4-chlorophenyl)methylidene]-2-trimethylsilylethanesulfonamide has a molecular weight of 303.89 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(4-chlorophenyl)methylidene]-2-trimethylsilylethanesulfonamide is sourced from PubChem (CID 11141225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).