N-benzyl-4-methyl-N-[(E)-1-pyridin-2-yl-2-trimethylsilylethenyl]benzenesulfonamide

C24H28N2O2SSi — CID 101172642

IUPACN-benzyl-4-methyl-N-[(E)-1-pyridin-2-yl-2-trimethylsilylethenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2ccccc2)/C(=C/[Si](C)(C)C)c2ccccn2)cc1
InChIInChI=1S/C24H28N2O2SSi/c1-20-13-15-22(16-14-20)29(27,28)26(18-21-10-6-5-7-11-21)24(19-30(2,3)4)23-12-8-9-17-25-23/h5-17,19H,18H2,1-4H3/b24-19+
InChIKeyCGIUBPNFNRYWLY-LYBHJNIJSA-N
MW436.65 g/mol
LogP5.50
Rot. Bonds7

About N-benzyl-4-methyl-N-[(E)-1-pyridin-2-yl-2-trimethylsilylethenyl]benzenesulfonamide

N-benzyl-4-methyl-N-[(E)-1-pyridin-2-yl-2-trimethylsilylethenyl]benzenesulfonamide (PubChem CID 101172642) has the molecular formula C24H28N2O2SSi and a molecular weight of 436.65 g/mol. Its IUPAC name is N-benzyl-4-methyl-N-[(E)-1-pyridin-2-yl-2-trimethylsilylethenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4-methyl-N-[(E)-1-pyridin-2-yl-2-trimethylsilylethenyl]benzenesulfonamide
PubChem CID101172642
Molecular FormulaC24H28N2O2SSi
Molecular Weight436.65 g/mol
Exact Mass436.16
IUPAC NameN-benzyl-4-methyl-N-[(E)-1-pyridin-2-yl-2-trimethylsilylethenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2ccccc2)/C(=C/[Si](C)(C)C)c2ccccn2)cc1
InChIInChI=1S/C24H28N2O2SSi/c1-20-13-15-22(16-14-20)29(27,28)26(18-21-10-6-5-7-11-21)24(19-30(2,3)4)23-12-8-9-17-25-23/h5-17,19H,18H2,1-4H3/b24-19+
InChIKeyCGIUBPNFNRYWLY-LYBHJNIJSA-N
XLogP5.50
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.65
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,4-dimethyl-N-[[4-[(pyridine-2-carbonylamino)carbamoyl]phenyl]methyl]benzenesulfonamide
CID 4790073
N-benzyl-N-[2-[benzyl-(4-methylphenyl)sulfonylamino]ethynyl]-4-methylbenzenesulfonamide
CID 162397950
methyl (E)-3-[benzyl-(4-methylphenyl)sulfonylamino]but-2-enoate
CID 177422417
N-benzyl-4-methyl-N-(4-phenylphenyl)benzenesulfonamide
CID 162402411
N-benzyl-N-[(4-methylphenyl)methyl]-4-(2H-tetrazol-5-yl)benzenesulfonamide
CID 123162649
N-benzyl-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide
CID 43995446
4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethylideneamino)benzamide
CID 3947692
N,N-bis[2-[benzyl-(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 10700219
N-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 56647729
N-benzyl-N-[(E)-1-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)prop-1-enyl]-4-methylbenzenesulfonamide
CID 72736960
N-benzyl-N-pyridin-2-ylsulfonylacetamide
CID 102301715
N-benzyl-N-[[4-(diethylamino)phenyl]methyl]-4-methylbenzenesulfonamide
CID 71624052

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methyl-N-[(E)-1-pyridin-2-yl-2-trimethylsilylethenyl]benzenesulfonamide?
The IUPAC name of N-benzyl-4-methyl-N-[(E)-1-pyridin-2-yl-2-trimethylsilylethenyl]benzenesulfonamide (CID 101172642) is N-benzyl-4-methyl-N-[(E)-1-pyridin-2-yl-2-trimethylsilylethenyl]benzenesulfonamide.
What is the SMILES notation for N-benzyl-4-methyl-N-[(E)-1-pyridin-2-yl-2-trimethylsilylethenyl]benzenesulfonamide?
The canonical SMILES for N-benzyl-4-methyl-N-[(E)-1-pyridin-2-yl-2-trimethylsilylethenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N(Cc2ccccc2)/C(=C/[Si](C)(C)C)c2ccccn2)cc1.
What is the InChIKey of N-benzyl-4-methyl-N-[(E)-1-pyridin-2-yl-2-trimethylsilylethenyl]benzenesulfonamide?
The InChIKey is CGIUBPNFNRYWLY-LYBHJNIJSA-N. The full InChI is InChI=1S/C24H28N2O2SSi/c1-20-13-15-22(16-14-20)29(27,28)26(18-21-10-6-5-7-11-21)24(19-30(2,3)4)23-12-8-9-17-25-23/h5-17,19H,18H2,1-4H3/b24-19+.
What are the key properties of N-benzyl-4-methyl-N-[(E)-1-pyridin-2-yl-2-trimethylsilylethenyl]benzenesulfonamide?
N-benzyl-4-methyl-N-[(E)-1-pyridin-2-yl-2-trimethylsilylethenyl]benzenesulfonamide has a molecular weight of 436.65 g/mol, XLogP of 5.50, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methyl-N-[(E)-1-pyridin-2-yl-2-trimethylsilylethenyl]benzenesulfonamide is sourced from PubChem (CID 101172642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).