tributylstannyl pyridine-2-sulfonate

C17H31NO3SSn — CID 163304135

IUPACtributylstannyl pyridine-2-sulfonate
SMILESCCCC[Sn](CCCC)(CCCC)OS(=O)(=O)c1ccccn1
InChIInChI=1S/C5H5NO3S.3C4H9.Sn/c7-10(8,9)5-3-1-2-4-6-5;3*1-3-4-2;/h1-4H,(H,7,8,9);3*1,3-4H2,2H3;/q;;;;+1/p-1
InChIKeySZXQTZDRSXDQRN-UHFFFAOYSA-M
MW448.22 g/mol
LogP5.13
Rot. Bonds12

About tributylstannyl pyridine-2-sulfonate

tributylstannyl pyridine-2-sulfonate (PubChem CID 163304135) has the molecular formula C17H31NO3SSn and a molecular weight of 448.22 g/mol. Its IUPAC name is tributylstannyl pyridine-2-sulfonate.

Molecular Properties

Compound Nametributylstannyl pyridine-2-sulfonate
PubChem CID163304135
Molecular FormulaC17H31NO3SSn
Molecular Weight448.22 g/mol
Exact Mass449.10
IUPAC Nametributylstannyl pyridine-2-sulfonate
SMILESCCCC[Sn](CCCC)(CCCC)OS(=O)(=O)c1ccccn1
InChIInChI=1S/C5H5NO3S.3C4H9.Sn/c7-10(8,9)5-3-1-2-4-6-5;3*1-3-4-2;/h1-4H,(H,7,8,9);3*1,3-4H2,2H3;/q;;;;+1/p-1
InChIKeySZXQTZDRSXDQRN-UHFFFAOYSA-M
XLogP5.13
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.22
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

octyl pyridine-2-sulfonate
CID 14266027
tributyl(3-pyridin-2-ylsulfonylprop-1-en-2-yl)stannane
CID 11598029
2-[(2R)-2-methylheptyl]sulfonylpyridine
CID 102521509
N-propylpyridine-2-sulfonamide
CID 91182516
(3-pentyl-5-phenylmethoxyphenyl) pyridine-2-sulfonate
CID 132509221
butyl-methylimino-oxo-pyridin-2-yl-λ6-sulfane;molybdenum;oxygen(2-);diperoxide
CID 139140431
2-propylsulfonylpyridine tetrafluoroborate
CID 175603723
2-(pyridin-2-ylsulfonylmethylsulfonyl)pyridine
CID 139827432
hex-5-en-3-yl pyridine-2-sulfonate;hydrobromide
CID 175437125
N-[(1R)-1-phenylpentyl]pyridine-2-sulfonamide
CID 101377427
N-[(3S)-3-amino-2-hydroxyheptyl]pyridine-2-sulfonamide
CID 71442347
2-(tribromomethylsulfonyl)pyridine
CID 159318212

Frequently Asked Questions

What is the IUPAC name of tributylstannyl pyridine-2-sulfonate?
The IUPAC name of tributylstannyl pyridine-2-sulfonate (CID 163304135) is tributylstannyl pyridine-2-sulfonate.
What is the SMILES notation for tributylstannyl pyridine-2-sulfonate?
The canonical SMILES for tributylstannyl pyridine-2-sulfonate is CCCC[Sn](CCCC)(CCCC)OS(=O)(=O)c1ccccn1.
What is the InChIKey of tributylstannyl pyridine-2-sulfonate?
The InChIKey is SZXQTZDRSXDQRN-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H5NO3S.3C4H9.Sn/c7-10(8,9)5-3-1-2-4-6-5;3*1-3-4-2;/h1-4H,(H,7,8,9);3*1,3-4H2,2H3;/q;;;;+1/p-1.
What are the key properties of tributylstannyl pyridine-2-sulfonate?
tributylstannyl pyridine-2-sulfonate has a molecular weight of 448.22 g/mol, XLogP of 5.13, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tributylstannyl pyridine-2-sulfonate is sourced from PubChem (CID 163304135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).