4-tributylstannylbenzenesulfonamide

C18H33NO2SSn — CID 18768487

IUPAC4-tributylstannylbenzenesulfonamide
SMILESCCCC[Sn](CCCC)(CCCC)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C6H6NO2S.3C4H9.Sn/c7-10(8,9)6-4-2-1-3-5-6;3*1-3-4-2;/h2-5H,(H2,7,8,9);3*1,3-4H2,2H3;
InChIKeyXVMSVWXXJDBTAI-UHFFFAOYSA-N
MW446.25 g/mol
LogP4.39
Rot. Bonds11

About 4-tributylstannylbenzenesulfonamide

4-tributylstannylbenzenesulfonamide (PubChem CID 18768487) has the molecular formula C18H33NO2SSn and a molecular weight of 446.25 g/mol. Its IUPAC name is 4-tributylstannylbenzenesulfonamide.

Molecular Properties

Compound Name4-tributylstannylbenzenesulfonamide
PubChem CID18768487
Molecular FormulaC18H33NO2SSn
Molecular Weight446.25 g/mol
Exact Mass447.13
IUPAC Name4-tributylstannylbenzenesulfonamide
SMILESCCCC[Sn](CCCC)(CCCC)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C6H6NO2S.3C4H9.Sn/c7-10(8,9)6-4-2-1-3-5-6;3*1-3-4-2;/h2-5H,(H2,7,8,9);3*1,3-4H2,2H3;
InChIKeyXVMSVWXXJDBTAI-UHFFFAOYSA-N
XLogP4.39
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.25
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tributylstannylbenzenesulfonamide?
The IUPAC name of 4-tributylstannylbenzenesulfonamide (CID 18768487) is 4-tributylstannylbenzenesulfonamide.
What is the SMILES notation for 4-tributylstannylbenzenesulfonamide?
The canonical SMILES for 4-tributylstannylbenzenesulfonamide is CCCC[Sn](CCCC)(CCCC)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-tributylstannylbenzenesulfonamide?
The InChIKey is XVMSVWXXJDBTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6NO2S.3C4H9.Sn/c7-10(8,9)6-4-2-1-3-5-6;3*1-3-4-2;/h2-5H,(H2,7,8,9);3*1,3-4H2,2H3;.
What are the key properties of 4-tributylstannylbenzenesulfonamide?
4-tributylstannylbenzenesulfonamide has a molecular weight of 446.25 g/mol, XLogP of 4.39, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tributylstannylbenzenesulfonamide is sourced from PubChem (CID 18768487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).