N-[(Z)-4-[dimethyl(phenyl)silyl]but-3-enyl]-4-methyl-N-(2-trimethylsilylethynyl)benzenesulfonamide

C24H33NO2SSi2 — CID 101488130

IUPACN-[(Z)-4-[dimethyl(phenyl)silyl]but-3-enyl]-4-methyl-N-(2-trimethylsilylethynyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C#C[Si](C)(C)C)CC/C=C\[Si](C)(C)c2ccccc2)cc1
InChIInChI=1S/C24H33NO2SSi2/c1-22-14-16-23(17-15-22)28(26,27)25(19-21-29(2,3)4)18-10-11-20-30(5,6)24-12-8-7-9-13-24/h7-9,11-17,20H,10,18H2,1-6H3/b20-11-
InChIKeyNWUMMERGFJREAM-JAIQZWGSSA-N
MW455.77 g/mol
LogP4.93
Rot. Bonds7

About N-[(Z)-4-[dimethyl(phenyl)silyl]but-3-enyl]-4-methyl-N-(2-trimethylsilylethynyl)benzenesulfonamide

N-[(Z)-4-[dimethyl(phenyl)silyl]but-3-enyl]-4-methyl-N-(2-trimethylsilylethynyl)benzenesulfonamide (PubChem CID 101488130) has the molecular formula C24H33NO2SSi2 and a molecular weight of 455.77 g/mol. Its IUPAC name is N-[(Z)-4-[dimethyl(phenyl)silyl]but-3-enyl]-4-methyl-N-(2-trimethylsilylethynyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-4-[dimethyl(phenyl)silyl]but-3-enyl]-4-methyl-N-(2-trimethylsilylethynyl)benzenesulfonamide
PubChem CID101488130
Molecular FormulaC24H33NO2SSi2
Molecular Weight455.77 g/mol
Exact Mass455.18
IUPAC NameN-[(Z)-4-[dimethyl(phenyl)silyl]but-3-enyl]-4-methyl-N-(2-trimethylsilylethynyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C#C[Si](C)(C)C)CC/C=C\[Si](C)(C)c2ccccc2)cc1
InChIInChI=1S/C24H33NO2SSi2/c1-22-14-16-23(17-15-22)28(26,27)25(19-21-29(2,3)4)18-10-11-20-30(5,6)24-12-8-7-9-13-24/h7-9,11-17,20H,10,18H2,1-6H3/b20-11-
InChIKeyNWUMMERGFJREAM-JAIQZWGSSA-N
XLogP4.93
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.77
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-[dimethyl(phenyl)silyl]hex-5-enyl 4-methylbenzenesulfonate
CID 135050406
N-[(2-bromophenyl)methyl]-4-methyl-N-(2-trimethylsilylethynyl)benzenesulfonamide
CID 102177565
4-methyl-N-[2-[[(4-methylphenyl)sulfonyl-(2-trimethylsilylethynyl)amino]methyl]phenyl]-N-prop-2-enylbenzenesulfonamide
CID 138978700
N-benzyl-N-[2-[benzyl-(4-methylphenyl)sulfonylamino]ethynyl]-4-methylbenzenesulfonamide
CID 162397950
4-methyl-N-(3-methyl-1-phenylbut-3-enyl)-N-(2-trimethylsilylethynyl)benzenesulfonamide
CID 101488131
N-[3-(benzenesulfonyl)hexa-3,4-dienyl]-4-methyl-N-(3-trimethylsilylprop-2-ynyl)benzenesulfonamide
CID 11627480
4-methyl-N-(4-phenylbuta-2,3-dienyl)-N-(3-trimethylsilylprop-2-ynyl)benzenesulfonamide
CID 102343046
N-ethynyl-4-methyl-N-propylbenzenesulfonamide
CID 12982566
N-[2-[2-(2-iodoethynyl)phenyl]ethynyl]-4-methyl-N-(6-oxohexyl)benzenesulfonamide
CID 46930946
N-but-3-enyl-4-methyl-N-oct-1-ynylbenzenesulfonamide
CID 102434474
N,N-bis[2-[benzyl-(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 10700219
4-methyl-N-(2-phenylethyl)-N-[(E)-prop-1-enyl]benzenesulfonamide
CID 101156823

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-4-[dimethyl(phenyl)silyl]but-3-enyl]-4-methyl-N-(2-trimethylsilylethynyl)benzenesulfonamide?
The IUPAC name of N-[(Z)-4-[dimethyl(phenyl)silyl]but-3-enyl]-4-methyl-N-(2-trimethylsilylethynyl)benzenesulfonamide (CID 101488130) is N-[(Z)-4-[dimethyl(phenyl)silyl]but-3-enyl]-4-methyl-N-(2-trimethylsilylethynyl)benzenesulfonamide.
What is the SMILES notation for N-[(Z)-4-[dimethyl(phenyl)silyl]but-3-enyl]-4-methyl-N-(2-trimethylsilylethynyl)benzenesulfonamide?
The canonical SMILES for N-[(Z)-4-[dimethyl(phenyl)silyl]but-3-enyl]-4-methyl-N-(2-trimethylsilylethynyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)N(C#C[Si](C)(C)C)CC/C=C\[Si](C)(C)c2ccccc2)cc1.
What is the InChIKey of N-[(Z)-4-[dimethyl(phenyl)silyl]but-3-enyl]-4-methyl-N-(2-trimethylsilylethynyl)benzenesulfonamide?
The InChIKey is NWUMMERGFJREAM-JAIQZWGSSA-N. The full InChI is InChI=1S/C24H33NO2SSi2/c1-22-14-16-23(17-15-22)28(26,27)25(19-21-29(2,3)4)18-10-11-20-30(5,6)24-12-8-7-9-13-24/h7-9,11-17,20H,10,18H2,1-6H3/b20-11-.
What are the key properties of N-[(Z)-4-[dimethyl(phenyl)silyl]but-3-enyl]-4-methyl-N-(2-trimethylsilylethynyl)benzenesulfonamide?
N-[(Z)-4-[dimethyl(phenyl)silyl]but-3-enyl]-4-methyl-N-(2-trimethylsilylethynyl)benzenesulfonamide has a molecular weight of 455.77 g/mol, XLogP of 4.93, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-4-[dimethyl(phenyl)silyl]but-3-enyl]-4-methyl-N-(2-trimethylsilylethynyl)benzenesulfonamide is sourced from PubChem (CID 101488130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).