4-methyl-N-[(E)-3-tri(propan-2-yl)silylprop-2-ynylideneamino]benzenesulfonamide

C19H30N2O2SSi — CID 166436835

IUPAC4-methyl-N-[(E)-3-tri(propan-2-yl)silylprop-2-ynylideneamino]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C/C#C[Si](C(C)C)(C(C)C)C(C)C)cc1
InChIInChI=1S/C19H30N2O2SSi/c1-15(2)25(16(3)4,17(5)6)14-8-13-20-21-24(22,23)19-11-9-18(7)10-12-19/h9-13,15-17,21H,1-7H3/b20-13+
InChIKeyIZKQHQCZJSMLOT-DEDYPNTBSA-N
MW378.61 g/mol
LogP4.48
Rot. Bonds6

About 4-methyl-N-[(E)-3-tri(propan-2-yl)silylprop-2-ynylideneamino]benzenesulfonamide

4-methyl-N-[(E)-3-tri(propan-2-yl)silylprop-2-ynylideneamino]benzenesulfonamide (PubChem CID 166436835) has the molecular formula C19H30N2O2SSi and a molecular weight of 378.61 g/mol. Its IUPAC name is 4-methyl-N-[(E)-3-tri(propan-2-yl)silylprop-2-ynylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(E)-3-tri(propan-2-yl)silylprop-2-ynylideneamino]benzenesulfonamide
PubChem CID166436835
Molecular FormulaC19H30N2O2SSi
Molecular Weight378.61 g/mol
Exact Mass378.18
IUPAC Name4-methyl-N-[(E)-3-tri(propan-2-yl)silylprop-2-ynylideneamino]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C/C#C[Si](C(C)C)(C(C)C)C(C)C)cc1
InChIInChI=1S/C19H30N2O2SSi/c1-15(2)25(16(3)4,17(5)6)14-8-13-20-21-24(22,23)19-11-9-18(7)10-12-19/h9-13,15-17,21H,1-7H3/b20-13+
InChIKeyIZKQHQCZJSMLOT-DEDYPNTBSA-N
XLogP4.48
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.61
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[(E)-[(2R,3S,4R,5S)-2,3,4,5-tetrahydroxyhexylidene]amino]benzenesulfonamide
CID 170858151
4-methyl-N-[(Z)-3-methylbut-2-enylideneamino]benzenesulfonamide
CID 101106192
[(4-methylphenyl)sulfonylhydrazinylidene]methanesulfinic acid
CID 162411258
N-[(1,5-dimethylpyrazol-4-yl)methylideneamino]-4-methylbenzenesulfonamide
CID 831810
4-methyl-N-[(E)-(1-trimethylsilylcyclopropyl)methylideneamino]benzenesulfonamide
CID 10781288
4-methyl-N-[(2S)-1-oxopropan-2-yl]benzenesulfonamide
CID 18606138
N-[(E)-2-diethoxyphosphorylpropylideneamino]-4-methylbenzenesulfonamide
CID 11760221
4-methyl-N-(1,3-thiazol-2-ylmethylideneamino)benzenesulfonamide
CID 2825089
N-[(Z)-(2,6-dichloro-4-pyridinyl)methylideneamino]-4-methylbenzenesulfonamide
CID 6034697
bromoethene;4-methyl-N-(methylideneamino)benzenesulfonamide
CID 123614271
N-[(Z)-(4-methylphenyl)methylideneamino]benzenesulfonamide
CID 5387407
4-methyl-N-[(E)-[4-(propan-2-yloxymethyl)phenyl]methylideneamino]benzenesulfonamide
CID 170774931

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(E)-3-tri(propan-2-yl)silylprop-2-ynylideneamino]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(E)-3-tri(propan-2-yl)silylprop-2-ynylideneamino]benzenesulfonamide (CID 166436835) is 4-methyl-N-[(E)-3-tri(propan-2-yl)silylprop-2-ynylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(E)-3-tri(propan-2-yl)silylprop-2-ynylideneamino]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(E)-3-tri(propan-2-yl)silylprop-2-ynylideneamino]benzenesulfonamide is Cc1ccc(S(=O)(=O)N/N=C/C#C[Si](C(C)C)(C(C)C)C(C)C)cc1.
What is the InChIKey of 4-methyl-N-[(E)-3-tri(propan-2-yl)silylprop-2-ynylideneamino]benzenesulfonamide?
The InChIKey is IZKQHQCZJSMLOT-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H30N2O2SSi/c1-15(2)25(16(3)4,17(5)6)14-8-13-20-21-24(22,23)19-11-9-18(7)10-12-19/h9-13,15-17,21H,1-7H3/b20-13+.
What are the key properties of 4-methyl-N-[(E)-3-tri(propan-2-yl)silylprop-2-ynylideneamino]benzenesulfonamide?
4-methyl-N-[(E)-3-tri(propan-2-yl)silylprop-2-ynylideneamino]benzenesulfonamide has a molecular weight of 378.61 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(E)-3-tri(propan-2-yl)silylprop-2-ynylideneamino]benzenesulfonamide is sourced from PubChem (CID 166436835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).