4-methyl-N-[1-[methyl(diphenyl)silyl]-1-phenylheptyl]benzenesulfonamide

C33H39NO2SSi — CID 164685134

IUPAC4-methyl-N-[1-[methyl(diphenyl)silyl]-1-phenylheptyl]benzenesulfonamide
SMILESCCCCCCC(NS(=O)(=O)c1ccc(C)cc1)(c1ccccc1)[Si](C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H39NO2SSi/c1-4-5-6-16-27-33(29-17-10-7-11-18-29,34-37(35,36)30-25-23-28(2)24-26-30)38(3,31-19-12-8-13-20-31)32-21-14-9-15-22-32/h7-15,17-26,34H,4-6,16,27H2,1-3H3
InChIKeyXKPVFVOEAIYLNE-UHFFFAOYSA-N
MW541.83 g/mol
LogP6.57
Rot. Bonds12

About 4-methyl-N-[1-[methyl(diphenyl)silyl]-1-phenylheptyl]benzenesulfonamide

4-methyl-N-[1-[methyl(diphenyl)silyl]-1-phenylheptyl]benzenesulfonamide (PubChem CID 164685134) has the molecular formula C33H39NO2SSi and a molecular weight of 541.83 g/mol. Its IUPAC name is 4-methyl-N-[1-[methyl(diphenyl)silyl]-1-phenylheptyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[1-[methyl(diphenyl)silyl]-1-phenylheptyl]benzenesulfonamide
PubChem CID164685134
Molecular FormulaC33H39NO2SSi
Molecular Weight541.83 g/mol
Exact Mass541.25
IUPAC Name4-methyl-N-[1-[methyl(diphenyl)silyl]-1-phenylheptyl]benzenesulfonamide
SMILESCCCCCCC(NS(=O)(=O)c1ccc(C)cc1)(c1ccccc1)[Si](C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H39NO2SSi/c1-4-5-6-16-27-33(29-17-10-7-11-18-29,34-37(35,36)30-25-23-28(2)24-26-30)38(3,31-19-12-8-13-20-31)32-21-14-9-15-22-32/h7-15,17-26,34H,4-6,16,27H2,1-3H3
InChIKeyXKPVFVOEAIYLNE-UHFFFAOYSA-N
XLogP6.57
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.83
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-(2-methylheptan-2-yl)benzenesulfonamide
CID 86230028
N-[1-[dimethyl(phenyl)silyl]-1-phenylbut-3-enyl]-4-methylbenzenesulfonamide
CID 102294027
N-[[dimethyl(phenyl)silyl]-diphenylmethyl]-4-methylbenzenesulfonamide
CID 102294028
N-(1-cyano-1-phenylbutyl)-4-methylbenzenesulfonamide
CID 135070539
N-[(1S)-1-hydroxy-1-phenylpropyl]-4-methylbenzenesulfonamide
CID 21032380
4-methyl-N-(1,1,1-trifluoro-2-phenylpropan-2-yl)benzenesulfonamide
CID 75458388
N-[1-[dimethyl(phenyl)silyl]propyl]-4-methylbenzenesulfonamide
CID 164685920
dimethyl-[(Z)-1-(4-methylphenyl)sulfonyloct-1-en-2-yl]-phenylsilane
CID 135057520
N-[diethoxyphosphoryl(diphenyl)methyl]-4-methylbenzenesulfonamide
CID 15852324
4-methyl-N-(1-nitro-2-phenylpropan-2-yl)benzenesulfonamide
CID 135011413
dodecyl(triphenyl)phosphanium;4-methylbenzenesulfonate
CID 19831349
9-phenylheptadecane-9-sulfonic acid
CID 154162369

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-[methyl(diphenyl)silyl]-1-phenylheptyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[1-[methyl(diphenyl)silyl]-1-phenylheptyl]benzenesulfonamide (CID 164685134) is 4-methyl-N-[1-[methyl(diphenyl)silyl]-1-phenylheptyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[1-[methyl(diphenyl)silyl]-1-phenylheptyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[1-[methyl(diphenyl)silyl]-1-phenylheptyl]benzenesulfonamide is CCCCCCC(NS(=O)(=O)c1ccc(C)cc1)(c1ccccc1)[Si](C)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-methyl-N-[1-[methyl(diphenyl)silyl]-1-phenylheptyl]benzenesulfonamide?
The InChIKey is XKPVFVOEAIYLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39NO2SSi/c1-4-5-6-16-27-33(29-17-10-7-11-18-29,34-37(35,36)30-25-23-28(2)24-26-30)38(3,31-19-12-8-13-20-31)32-21-14-9-15-22-32/h7-15,17-26,34H,4-6,16,27H2,1-3H3.
What are the key properties of 4-methyl-N-[1-[methyl(diphenyl)silyl]-1-phenylheptyl]benzenesulfonamide?
4-methyl-N-[1-[methyl(diphenyl)silyl]-1-phenylheptyl]benzenesulfonamide has a molecular weight of 541.83 g/mol, XLogP of 6.57, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-[methyl(diphenyl)silyl]-1-phenylheptyl]benzenesulfonamide is sourced from PubChem (CID 164685134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).