N-[(R)-[dimethyl(phenyl)silyl]-phenylmethyl]-4-methylbenzenesulfonamide

C22H25NO2SSi — CID 132990503

IUPACN-[(R)-[dimethyl(phenyl)silyl]-phenylmethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)[Si](C)(C)c2ccccc2)cc1
InChIInChI=1S/C22H25NO2SSi/c1-18-14-16-20(17-15-18)26(24,25)23-22(19-10-6-4-7-11-19)27(2,3)21-12-8-5-9-13-21/h4-17,22-23H,1-3H3/t22-/m1/s1
InChIKeyHZXHHQCUYCTPOR-JOCHJYFZSA-N
MW395.60 g/mol
LogP4.17
Rot. Bonds6

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

N-[(R)-[dimethyl(phenyl)silyl]-phenylmethyl]-4-methylbenzenesulfonamide (PubChem CID 132990503) has the molecular formula C22H25NO2SSi and a molecular weight of 395.60 g/mol. Its IUPAC name is N-[(R)-[dimethyl(phenyl)silyl]-phenylmethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(R)-[dimethyl(phenyl)silyl]-phenylmethyl]-4-methylbenzenesulfonamide
PubChem CID132990503
Molecular FormulaC22H25NO2SSi
Molecular Weight395.60 g/mol
Exact Mass395.14
IUPAC NameN-[(R)-[dimethyl(phenyl)silyl]-phenylmethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)[Si](C)(C)c2ccccc2)cc1
InChIInChI=1S/C22H25NO2SSi/c1-18-14-16-20(17-15-18)26(24,25)23-22(19-10-6-4-7-11-19)27(2,3)21-12-8-5-9-13-21/h4-17,22-23H,1-3H3/t22-/m1/s1
InChIKeyHZXHHQCUYCTPOR-JOCHJYFZSA-N
XLogP4.17
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.60
LogP ≤ 54.17
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-[(S)-[dimethyl(phenyl)silyl]-(3-nitrophenyl)methyl]-4-methylbenzenesulfonamide
CID 164686349
N-[[dimethyl(phenyl)silyl]-(2-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 135061696
N-[1-[dimethyl(phenyl)silyl]propyl]-4-methylbenzenesulfonamide
CID 164685920
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
4-methyl-N-(2,3,3-trifluoro-1-phenylprop-2-enyl)benzenesulfonamide
CID 102415816
N-[(1R,2S)-2-amino-1,2-diphenylethyl]-4-methylbenzenesulfonamide;hydrochloride
CID 45357622
N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-4-methylbenzenesulfonamide
CID 101415402
N-(2-amino-1-phenylethyl)-4-methylbenzenesulfonamide
CID 18003405
N-(2-amino-1,2-diphenylethyl)-4-methylbenzenesulfonamide;hydrochloride
CID 75110683
N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-4-methylbenzenesulfonamide
CID 11162537
4-methyl-N-[(4-methylphenyl)-(4-phenylphenyl)methyl]benzenesulfonamide
CID 134927453

Frequently Asked Questions

What is the IUPAC name of N-[(R)-[dimethyl(phenyl)silyl]-phenylmethyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(R)-[dimethyl(phenyl)silyl]-phenylmethyl]-4-methylbenzenesulfonamide (CID 132990503) is N-[(R)-[dimethyl(phenyl)silyl]-phenylmethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(R)-[dimethyl(phenyl)silyl]-phenylmethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(R)-[dimethyl(phenyl)silyl]-phenylmethyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)[Si](C)(C)c2ccccc2)cc1.
What is the InChIKey of N-[(R)-[dimethyl(phenyl)silyl]-phenylmethyl]-4-methylbenzenesulfonamide?
The InChIKey is HZXHHQCUYCTPOR-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H25NO2SSi/c1-18-14-16-20(17-15-18)26(24,25)23-22(19-10-6-4-7-11-19)27(2,3)21-12-8-5-9-13-21/h4-17,22-23H,1-3H3/t22-/m1/s1.
What are the key properties of N-[(R)-[dimethyl(phenyl)silyl]-phenylmethyl]-4-methylbenzenesulfonamide?
N-[(R)-[dimethyl(phenyl)silyl]-phenylmethyl]-4-methylbenzenesulfonamide has a molecular weight of 395.60 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-[dimethyl(phenyl)silyl]-phenylmethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 132990503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).