N-[tert-butyl(dimethyl)silyl]-4-methylbenzenesulfonamide

C13H23NO2SSi — CID 91736357

IUPACN-[tert-butyl(dimethyl)silyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C13H23NO2SSi/c1-11-7-9-12(10-8-11)17(15,16)14-18(5,6)13(2,3)4/h7-10,14H,1-6H3
InChIKeyWSVKBBZLIXUCTM-UHFFFAOYSA-N
MW285.49 g/mol
LogP3.28
Rot. Bonds3

About N-[tert-butyl(dimethyl)silyl]-4-methylbenzenesulfonamide

N-[tert-butyl(dimethyl)silyl]-4-methylbenzenesulfonamide (PubChem CID 91736357) has the molecular formula C13H23NO2SSi and a molecular weight of 285.49 g/mol. Its IUPAC name is N-[tert-butyl(dimethyl)silyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[tert-butyl(dimethyl)silyl]-4-methylbenzenesulfonamide
PubChem CID91736357
Molecular FormulaC13H23NO2SSi
Molecular Weight285.49 g/mol
Exact Mass285.12
IUPAC NameN-[tert-butyl(dimethyl)silyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C13H23NO2SSi/c1-11-7-9-12(10-8-11)17(15,16)14-18(5,6)13(2,3)4/h7-10,14H,1-6H3
InChIKeyWSVKBBZLIXUCTM-UHFFFAOYSA-N
XLogP3.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.49
LogP ≤ 53.28
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-[tert-butyl(dimethyl)silyl]-4-[2-(dimethylamino)propan-2-yl]benzenesulfonamide
CID 151759845
N-tert-butyl-4-methylbenzenesulfonamide;ethane
CID 143460137
4-methyl-N-oxidobenzenesulfonamide
CID 141387140
N-[3,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-4-methylbenzenesulfonamide
CID 163216298
4-methylbenzenesulfonohydrazide
CID 15303
1-methyl-4-(sulfinatosulfamoyl)benzene
CID 57311516
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
4-methyl-N-(6-methyl-3-pyridinyl)benzenesulfonamide
CID 84581619
N-[(2R)-3,3-dimethylbutan-2-yl]-4-methylbenzenesulfonamide
CID 11637441
N-[(E,1R)-1-[tert-butyl(dimethyl)silyl]-4,4-dimethylpent-2-enyl]-4-methylbenzenesulfonamide
CID 164684876
4-methyl-N-[2-(4-methylphenyl)-1-oxopropan-2-yl]benzenesulfonamide
CID 101403953
N-dichlorophosphoryl-4-methylbenzenesulfonamide
CID 4737336

Frequently Asked Questions

What is the IUPAC name of N-[tert-butyl(dimethyl)silyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[tert-butyl(dimethyl)silyl]-4-methylbenzenesulfonamide (CID 91736357) is N-[tert-butyl(dimethyl)silyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[tert-butyl(dimethyl)silyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[tert-butyl(dimethyl)silyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of N-[tert-butyl(dimethyl)silyl]-4-methylbenzenesulfonamide?
The InChIKey is WSVKBBZLIXUCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2SSi/c1-11-7-9-12(10-8-11)17(15,16)14-18(5,6)13(2,3)4/h7-10,14H,1-6H3.
What are the key properties of N-[tert-butyl(dimethyl)silyl]-4-methylbenzenesulfonamide?
N-[tert-butyl(dimethyl)silyl]-4-methylbenzenesulfonamide has a molecular weight of 285.49 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[tert-butyl(dimethyl)silyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 91736357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).