N-(benzenesulfonyl)-N-[(1S)-1-tributylstannylethyl]benzamide

C27H41NO3SSn — CID 57327346

IUPACN-(benzenesulfonyl)-N-[(1S)-1-tributylstannylethyl]benzamide
SMILESCCCC[Sn](CCCC)(CCCC)[C@@H](C)N(C(=O)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H14NO3S.3C4H9.Sn/c1-2-16(15(17)13-9-5-3-6-10-13)20(18,19)14-11-7-4-8-12-14;3*1-3-4-2;/h2-12H,1H3;3*1,3-4H2,2H3;
InChIKeyLCXGSXGQTLWQFR-UHFFFAOYSA-N
MW578.41 g/mol
LogP7.29
Rot. Bonds14

About N-(benzenesulfonyl)-N-[(1S)-1-tributylstannylethyl]benzamide

N-(benzenesulfonyl)-N-[(1S)-1-tributylstannylethyl]benzamide (PubChem CID 57327346) has the molecular formula C27H41NO3SSn and a molecular weight of 578.41 g/mol. Its IUPAC name is N-(benzenesulfonyl)-N-[(1S)-1-tributylstannylethyl]benzamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-N-[(1S)-1-tributylstannylethyl]benzamide
PubChem CID57327346
Molecular FormulaC27H41NO3SSn
Molecular Weight578.41 g/mol
Exact Mass579.18
IUPAC NameN-(benzenesulfonyl)-N-[(1S)-1-tributylstannylethyl]benzamide
SMILESCCCC[Sn](CCCC)(CCCC)[C@@H](C)N(C(=O)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H14NO3S.3C4H9.Sn/c1-2-16(15(17)13-9-5-3-6-10-13)20(18,19)14-11-7-4-8-12-14;3*1-3-4-2;/h2-12H,1H3;3*1,3-4H2,2H3;
InChIKeyLCXGSXGQTLWQFR-UHFFFAOYSA-N
XLogP7.29
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.41
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-(benzenesulfonyl)-N-propan-2-ylcarbamate
CID 54135692
N-ethyl-N-(1-oxo-1-phenylpropan-2-yl)benzenesulfonamide
CID 58597535
2-butylsulfonyl-1-phenylpropan-1-one
CID 64636336
2-[dibutyl-(1,3-dioxo-1,3-diphenylpropan-2-yl)stannyl]-1,3-diphenylpropane-1,3-dione
CID 10842248
tert-butyl N-[(1S)-2-hydroxy-1-phenylethyl]-N-(1-tributylstannylethyl)carbamate
CID 177443507
[(2S)-1-amino-1-oxopropan-2-yl] 3-[butyl(phenyl)sulfamoyl]benzoate
CID 2577928
N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylbenzamide
CID 19210617
N-butyl-4-[methyl(phenyl)sulfamoyl]-N-phenylbenzamide
CID 8839615
4-[benzenesulfonyl(methyl)amino]-N-butylbenzamide
CID 2193999
3-[benzenesulfonyl(2-methylpropyl)amino]propylcarbamic acid
CID 142959686
2-[benzenesulfonyl(methyl)amino]-N-pentylacetamide
CID 40604128
N-methyl-N-pentan-2-ylbenzenesulfonamide
CID 60763176

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-N-[(1S)-1-tributylstannylethyl]benzamide?
The IUPAC name of N-(benzenesulfonyl)-N-[(1S)-1-tributylstannylethyl]benzamide (CID 57327346) is N-(benzenesulfonyl)-N-[(1S)-1-tributylstannylethyl]benzamide.
What is the SMILES notation for N-(benzenesulfonyl)-N-[(1S)-1-tributylstannylethyl]benzamide?
The canonical SMILES for N-(benzenesulfonyl)-N-[(1S)-1-tributylstannylethyl]benzamide is CCCC[Sn](CCCC)(CCCC)[C@@H](C)N(C(=O)c1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-(benzenesulfonyl)-N-[(1S)-1-tributylstannylethyl]benzamide?
The InChIKey is LCXGSXGQTLWQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14NO3S.3C4H9.Sn/c1-2-16(15(17)13-9-5-3-6-10-13)20(18,19)14-11-7-4-8-12-14;3*1-3-4-2;/h2-12H,1H3;3*1,3-4H2,2H3;.
What are the key properties of N-(benzenesulfonyl)-N-[(1S)-1-tributylstannylethyl]benzamide?
N-(benzenesulfonyl)-N-[(1S)-1-tributylstannylethyl]benzamide has a molecular weight of 578.41 g/mol, XLogP of 7.29, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-N-[(1S)-1-tributylstannylethyl]benzamide is sourced from PubChem (CID 57327346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).