N-benzyl-4-methyl-N-[(E)-2-tributylstannylethenyl]benzenesulfonamide

C28H43NO2SSn — CID 177483616

IUPACN-benzyl-4-methyl-N-[(E)-2-tributylstannylethenyl]benzenesulfonamide
SMILESCCCC[Sn](/C=C/N(Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1)(CCCC)CCCC
InChIInChI=1S/C16H16NO2S.3C4H9.Sn/c1-3-17(13-15-7-5-4-6-8-15)20(18,19)16-11-9-14(2)10-12-16;3*1-3-4-2;/h1,3-12H,13H2,2H3;3*1,3-4H2,2H3;
InChIKeyABJFICZKLOWVOV-UHFFFAOYSA-N
MW576.44 g/mol
LogP8.09
Rot. Bonds15

About N-benzyl-4-methyl-N-[(E)-2-tributylstannylethenyl]benzenesulfonamide

N-benzyl-4-methyl-N-[(E)-2-tributylstannylethenyl]benzenesulfonamide (PubChem CID 177483616) has the molecular formula C28H43NO2SSn and a molecular weight of 576.44 g/mol. Its IUPAC name is N-benzyl-4-methyl-N-[(E)-2-tributylstannylethenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4-methyl-N-[(E)-2-tributylstannylethenyl]benzenesulfonamide
PubChem CID177483616
Molecular FormulaC28H43NO2SSn
Molecular Weight576.44 g/mol
Exact Mass577.20
IUPAC NameN-benzyl-4-methyl-N-[(E)-2-tributylstannylethenyl]benzenesulfonamide
SMILESCCCC[Sn](/C=C/N(Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1)(CCCC)CCCC
InChIInChI=1S/C16H16NO2S.3C4H9.Sn/c1-3-17(13-15-7-5-4-6-8-15)20(18,19)16-11-9-14(2)10-12-16;3*1-3-4-2;/h1,3-12H,13H2,2H3;3*1,3-4H2,2H3;
InChIKeyABJFICZKLOWVOV-UHFFFAOYSA-N
XLogP8.09
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.44
LogP ≤ 58.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-benzyl-4-methyl-N-[(E)-2-tributylstannylethenyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-N-[(1E,3Z)-3,4-dibutyl-5-hydroxytrideca-1,3-dienyl]-4-methylbenzenesulfonamide
CID 102177718
N-benzyl-N-[(1Z)-2-chlorobuta-1,3-dienyl]-4-methylbenzenesulfonamide
CID 134875223
N-benzyl-N-[2-[benzyl-(4-methylphenyl)sulfonylamino]ethynyl]-4-methylbenzenesulfonamide
CID 162397950
N,N-bis[2-[benzyl-(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 10700219
N-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-N-benzyl-4-methylbenzenesulfonamide
CID 15471008
4-methyl-N-(2-phenylethyl)-N-[(E)-prop-1-enyl]benzenesulfonamide
CID 101156823
ethyl (Z)-7-[benzyl-(4-methylphenyl)sulfonylamino]-6-phenylsulfanylhept-6-enoate
CID 25198339
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-butylacetamide
CID 126067032
N-benzyl-N-[(E)-3-[(E)-(4-bromophenyl)methylideneamino]oxyprop-1-enyl]-4-methylbenzenesulfonamide
CID 177432918
N-benzyl-4-methyl-N-(1-phenylprop-2-enyl)benzenesulfonamide
CID 72966793
N-benzyl-4-methyl-N-pent-1-en-3-ylbenzenesulfonamide
CID 23726775
N-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 56647729

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methyl-N-[(E)-2-tributylstannylethenyl]benzenesulfonamide?
The IUPAC name of N-benzyl-4-methyl-N-[(E)-2-tributylstannylethenyl]benzenesulfonamide (CID 177483616) is N-benzyl-4-methyl-N-[(E)-2-tributylstannylethenyl]benzenesulfonamide.
What is the SMILES notation for N-benzyl-4-methyl-N-[(E)-2-tributylstannylethenyl]benzenesulfonamide?
The canonical SMILES for N-benzyl-4-methyl-N-[(E)-2-tributylstannylethenyl]benzenesulfonamide is CCCC[Sn](/C=C/N(Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1)(CCCC)CCCC.
What is the InChIKey of N-benzyl-4-methyl-N-[(E)-2-tributylstannylethenyl]benzenesulfonamide?
The InChIKey is ABJFICZKLOWVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16NO2S.3C4H9.Sn/c1-3-17(13-15-7-5-4-6-8-15)20(18,19)16-11-9-14(2)10-12-16;3*1-3-4-2;/h1,3-12H,13H2,2H3;3*1,3-4H2,2H3;.
What are the key properties of N-benzyl-4-methyl-N-[(E)-2-tributylstannylethenyl]benzenesulfonamide?
N-benzyl-4-methyl-N-[(E)-2-tributylstannylethenyl]benzenesulfonamide has a molecular weight of 576.44 g/mol, XLogP of 8.09, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methyl-N-[(E)-2-tributylstannylethenyl]benzenesulfonamide is sourced from PubChem (CID 177483616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).