N-[[dimethyl(phenyl)silyl]-diphenylmethyl]-4-methylbenzenesulfonamide

C28H29NO2SSi — CID 102294028

IUPACN-[[dimethyl(phenyl)silyl]-diphenylmethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(c2ccccc2)(c2ccccc2)[Si](C)(C)c2ccccc2)cc1
InChIInChI=1S/C28H29NO2SSi/c1-23-19-21-26(22-20-23)32(30,31)29-28(24-13-7-4-8-14-24,25-15-9-5-10-16-25)33(2,3)27-17-11-6-12-18-27/h4-22,29H,1-3H3
InChIKeyOXNSPXSXQZCRNS-UHFFFAOYSA-N
MW471.70 g/mol
LogP5.37
Rot. Bonds7

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

N-[[dimethyl(phenyl)silyl]-diphenylmethyl]-4-methylbenzenesulfonamide (PubChem CID 102294028) has the molecular formula C28H29NO2SSi and a molecular weight of 471.70 g/mol. Its IUPAC name is N-[[dimethyl(phenyl)silyl]-diphenylmethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[dimethyl(phenyl)silyl]-diphenylmethyl]-4-methylbenzenesulfonamide
PubChem CID102294028
Molecular FormulaC28H29NO2SSi
Molecular Weight471.70 g/mol
Exact Mass471.17
IUPAC NameN-[[dimethyl(phenyl)silyl]-diphenylmethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(c2ccccc2)(c2ccccc2)[Si](C)(C)c2ccccc2)cc1
InChIInChI=1S/C28H29NO2SSi/c1-23-19-21-26(22-20-23)32(30,31)29-28(24-13-7-4-8-14-24,25-15-9-5-10-16-25)33(2,3)27-17-11-6-12-18-27/h4-22,29H,1-3H3
InChIKeyOXNSPXSXQZCRNS-UHFFFAOYSA-N
XLogP5.37
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.70
LogP ≤ 55.37
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-[1-[dimethyl(phenyl)silyl]-1-phenylbut-3-enyl]-4-methylbenzenesulfonamide
CID 102294027
4-methyl-N-[1-[methyl(diphenyl)silyl]-1-phenylheptyl]benzenesulfonamide
CID 164685134
4-methyl-N-(1,1,1-trifluoro-2-phenylpropan-2-yl)benzenesulfonamide
CID 75458388
N-[(1S)-1-hydroxy-1-phenylpropyl]-4-methylbenzenesulfonamide
CID 21032380
N-[(1R)-1-(4-methoxyphenyl)-1-phenylethyl]-4-methylbenzenesulfonamide
CID 102049077
4-methyl-N-(1-nitro-2-phenylpropan-2-yl)benzenesulfonamide
CID 135011413
N-[(R)-[dimethyl(phenyl)silyl]-phenylmethyl]-4-methylbenzenesulfonamide
CID 132990503
N-tert-butyl-4-methylbenzenesulfonamide;ethane
CID 143460137
N-[diethoxyphosphoryl(diphenyl)methyl]-4-methylbenzenesulfonamide
CID 15852324
N-(1-cyano-1-phenylbutyl)-4-methylbenzenesulfonamide
CID 135070539
N-[1-[dimethyl(phenyl)silyl]propyl]-4-methylbenzenesulfonamide
CID 164685920
N-[(E)-1-cyano-1,3-diphenylprop-2-enyl]-4-methylbenzenesulfonamide
CID 11954463

Frequently Asked Questions

What is the IUPAC name of N-[[dimethyl(phenyl)silyl]-diphenylmethyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[[dimethyl(phenyl)silyl]-diphenylmethyl]-4-methylbenzenesulfonamide (CID 102294028) is N-[[dimethyl(phenyl)silyl]-diphenylmethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[[dimethyl(phenyl)silyl]-diphenylmethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[[dimethyl(phenyl)silyl]-diphenylmethyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC(c2ccccc2)(c2ccccc2)[Si](C)(C)c2ccccc2)cc1.
What is the InChIKey of N-[[dimethyl(phenyl)silyl]-diphenylmethyl]-4-methylbenzenesulfonamide?
The InChIKey is OXNSPXSXQZCRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29NO2SSi/c1-23-19-21-26(22-20-23)32(30,31)29-28(24-13-7-4-8-14-24,25-15-9-5-10-16-25)33(2,3)27-17-11-6-12-18-27/h4-22,29H,1-3H3.
What are the key properties of N-[[dimethyl(phenyl)silyl]-diphenylmethyl]-4-methylbenzenesulfonamide?
N-[[dimethyl(phenyl)silyl]-diphenylmethyl]-4-methylbenzenesulfonamide has a molecular weight of 471.70 g/mol, XLogP of 5.37, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[dimethyl(phenyl)silyl]-diphenylmethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 102294028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).