4-methyl-N,N-bis(5-triethylsilylpenta-2,4-diynyl)benzenesulfonamide

C29H41NO2SSi2 — CID 102584689

IUPAC4-methyl-N,N-bis(5-triethylsilylpenta-2,4-diynyl)benzenesulfonamide
SMILESCC[Si](C#CC#CCN(CC#CC#C[Si](CC)(CC)CC)S(=O)(=O)c1ccc(C)cc1)(CC)CC
InChIInChI=1S/C29H41NO2SSi2/c1-8-34(9-2,10-3)26-18-14-16-24-30(33(31,32)29-22-20-28(7)21-23-29)25-17-15-19-27-35(11-4,12-5)13-6/h20-23H,8-13,24-25H2,1-7H3
InChIKeyMMWKKZBVQSRTLG-UHFFFAOYSA-N
MW523.89 g/mol
LogP6.09
Rot. Bonds10

About 4-methyl-N,N-bis(5-triethylsilylpenta-2,4-diynyl)benzenesulfonamide

4-methyl-N,N-bis(5-triethylsilylpenta-2,4-diynyl)benzenesulfonamide (PubChem CID 102584689) has the molecular formula C29H41NO2SSi2 and a molecular weight of 523.89 g/mol. Its IUPAC name is 4-methyl-N,N-bis(5-triethylsilylpenta-2,4-diynyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N,N-bis(5-triethylsilylpenta-2,4-diynyl)benzenesulfonamide
PubChem CID102584689
Molecular FormulaC29H41NO2SSi2
Molecular Weight523.89 g/mol
Exact Mass523.24
IUPAC Name4-methyl-N,N-bis(5-triethylsilylpenta-2,4-diynyl)benzenesulfonamide
SMILESCC[Si](C#CC#CCN(CC#CC#C[Si](CC)(CC)CC)S(=O)(=O)c1ccc(C)cc1)(CC)CC
InChIInChI=1S/C29H41NO2SSi2/c1-8-34(9-2,10-3)26-18-14-16-24-30(33(31,32)29-22-20-28(7)21-23-29)25-17-15-19-27-35(11-4,12-5)13-6/h20-23H,8-13,24-25H2,1-7H3
InChIKeyMMWKKZBVQSRTLG-UHFFFAOYSA-N
XLogP6.09
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.89
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N,N-bis(sulfanylmethyl)benzenesulfonamide
CID 122393288
N-(4-hydroxybut-2-ynyl)-4-methyl-N-prop-2-enylbenzenesulfonamide
CID 11011363
4-methyl-N-(5-oxohex-2-ynyl)-N-prop-2-ynylbenzenesulfonamide
CID 102243154
N-ethyl-4-methyl-N-propylbenzenesulfonamide
CID 91734520
4-methyl-N-(6-oxohex-2-ynyl)-N-prop-2-ynylbenzenesulfonamide
CID 42599302
N-(4-chlorobut-2-ynyl)-N-[(Z)-hex-2-enyl]-4-methylbenzenesulfonamide
CID 10871520
N-(2-cyanoethyl)-4-methyl-N-[4-[(4-methylphenyl)sulfonyl-(3-pyridin-2-ylprop-2-ynyl)amino]but-2-ynyl]benzenesulfonamide
CID 46867633
N-but-2-ynyl-N-[(2,3-dibutylcycloprop-2-en-1-yl)methyl]-4-methylbenzenesulfonamide
CID 46862062
N-but-2-ynyl-N-[(Z)-4-hydroxybut-2-enyl]-4-methylbenzenesulfonamide
CID 135020225
N,4-dimethyl-N-[2-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl-(4-methylphenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 11767132
N,N-diethyl-4-[[(4-methylbenzoyl)amino]carbamoyl]benzenesulfonamide
CID 2093173
N-[3-(2-ethynylphenyl)prop-2-ynyl]-4-methyl-N-(3-phenylprop-2-ynyl)benzenesulfonamide
CID 44517972

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N,N-bis(5-triethylsilylpenta-2,4-diynyl)benzenesulfonamide?
The IUPAC name of 4-methyl-N,N-bis(5-triethylsilylpenta-2,4-diynyl)benzenesulfonamide (CID 102584689) is 4-methyl-N,N-bis(5-triethylsilylpenta-2,4-diynyl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N,N-bis(5-triethylsilylpenta-2,4-diynyl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N,N-bis(5-triethylsilylpenta-2,4-diynyl)benzenesulfonamide is CC[Si](C#CC#CCN(CC#CC#C[Si](CC)(CC)CC)S(=O)(=O)c1ccc(C)cc1)(CC)CC.
What is the InChIKey of 4-methyl-N,N-bis(5-triethylsilylpenta-2,4-diynyl)benzenesulfonamide?
The InChIKey is MMWKKZBVQSRTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H41NO2SSi2/c1-8-34(9-2,10-3)26-18-14-16-24-30(33(31,32)29-22-20-28(7)21-23-29)25-17-15-19-27-35(11-4,12-5)13-6/h20-23H,8-13,24-25H2,1-7H3.
What are the key properties of 4-methyl-N,N-bis(5-triethylsilylpenta-2,4-diynyl)benzenesulfonamide?
4-methyl-N,N-bis(5-triethylsilylpenta-2,4-diynyl)benzenesulfonamide has a molecular weight of 523.89 g/mol, XLogP of 6.09, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N,N-bis(5-triethylsilylpenta-2,4-diynyl)benzenesulfonamide is sourced from PubChem (CID 102584689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).