N-[1-[dimethyl(phenyl)silyl]propyl]-4-methylbenzenesulfonamide

C18H25NO2SSi — CID 164685920

IUPACN-[1-[dimethyl(phenyl)silyl]propyl]-4-methylbenzenesulfonamide
SMILESCCC(NS(=O)(=O)c1ccc(C)cc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C18H25NO2SSi/c1-5-18(23(3,4)17-9-7-6-8-10-17)19-22(20,21)16-13-11-15(2)12-14-16/h6-14,18-19H,5H2,1-4H3
InChIKeyFDOXBMJFIMOYRI-UHFFFAOYSA-N
MW347.56 g/mol
LogP3.21
Rot. Bonds6

About N-[1-[dimethyl(phenyl)silyl]propyl]-4-methylbenzenesulfonamide

N-[1-[dimethyl(phenyl)silyl]propyl]-4-methylbenzenesulfonamide (PubChem CID 164685920) has the molecular formula C18H25NO2SSi and a molecular weight of 347.56 g/mol. Its IUPAC name is N-[1-[dimethyl(phenyl)silyl]propyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-[dimethyl(phenyl)silyl]propyl]-4-methylbenzenesulfonamide
PubChem CID164685920
Molecular FormulaC18H25NO2SSi
Molecular Weight347.56 g/mol
Exact Mass347.14
IUPAC NameN-[1-[dimethyl(phenyl)silyl]propyl]-4-methylbenzenesulfonamide
SMILESCCC(NS(=O)(=O)c1ccc(C)cc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C18H25NO2SSi/c1-5-18(23(3,4)17-9-7-6-8-10-17)19-22(20,21)16-13-11-15(2)12-14-16/h6-14,18-19H,5H2,1-4H3
InChIKeyFDOXBMJFIMOYRI-UHFFFAOYSA-N
XLogP3.21
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.56
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(R)-[dimethyl(phenyl)silyl]-phenylmethyl]-4-methylbenzenesulfonamide
CID 132990503
N-[(2S,4R)-4-[dimethyl(phenyl)silyl]hex-5-en-2-yl]-4-methylbenzenesulfonamide
CID 15418147
N-[(2S,4S)-4-[dimethyl(phenyl)silyl]hex-5-en-2-yl]-4-methylbenzenesulfonamide
CID 15418146
N-[[dimethyl(phenyl)silyl]-(2-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 135061696
N-(1-trimethoxysilylpropyl)benzenesulfonamide
CID 71086779
N-[(S)-[dimethyl(phenyl)silyl]-(3-nitrophenyl)methyl]-4-methylbenzenesulfonamide
CID 164686349
N-[(1R,2S)-1-methoxy-1-phenylbutan-2-yl]-4-methylbenzenesulfonamide
CID 57408242
4-methyl-N-(1-oxobutan-2-yl)benzenesulfonamide
CID 173407704
4-methyl-N-[(1R)-1-[(2R)-oxiran-2-yl]propyl]benzenesulfonamide
CID 89212205
4-methyl-N-[(2R,3S)-2-methyl-1-oxopentan-3-yl]benzenesulfonamide
CID 102085271
N-(2-amino-1-phenylethyl)-4-methylbenzenesulfonamide
CID 18003405
4-methyl-N-[(2S)-1-phenylpentan-2-yl]benzenesulfonamide
CID 45102181

Frequently Asked Questions

What is the IUPAC name of N-[1-[dimethyl(phenyl)silyl]propyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[1-[dimethyl(phenyl)silyl]propyl]-4-methylbenzenesulfonamide (CID 164685920) is N-[1-[dimethyl(phenyl)silyl]propyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[1-[dimethyl(phenyl)silyl]propyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[1-[dimethyl(phenyl)silyl]propyl]-4-methylbenzenesulfonamide is CCC(NS(=O)(=O)c1ccc(C)cc1)[Si](C)(C)c1ccccc1.
What is the InChIKey of N-[1-[dimethyl(phenyl)silyl]propyl]-4-methylbenzenesulfonamide?
The InChIKey is FDOXBMJFIMOYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2SSi/c1-5-18(23(3,4)17-9-7-6-8-10-17)19-22(20,21)16-13-11-15(2)12-14-16/h6-14,18-19H,5H2,1-4H3.
What are the key properties of N-[1-[dimethyl(phenyl)silyl]propyl]-4-methylbenzenesulfonamide?
N-[1-[dimethyl(phenyl)silyl]propyl]-4-methylbenzenesulfonamide has a molecular weight of 347.56 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[dimethyl(phenyl)silyl]propyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 164685920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).