N-tert-butyl-2-(trimethylstannylmethyl)benzenesulfonamide

C14H25NO2SSn — CID 13372366

IUPACN-tert-butyl-2-(trimethylstannylmethyl)benzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccccc1C[Sn](C)(C)C
InChIInChI=1S/C11H16NO2S.3CH3.Sn/c1-9-7-5-6-8-10(9)15(13,14)12-11(2,3)4;;;;/h5-8,12H,1H2,2-4H3;3*1H3;
InChIKeyGDLXDMDUOHTJBK-UHFFFAOYSA-N
MW390.14 g/mol
LogP3.18
Rot. Bonds4

About N-tert-butyl-2-(trimethylstannylmethyl)benzenesulfonamide

N-tert-butyl-2-(trimethylstannylmethyl)benzenesulfonamide (PubChem CID 13372366) has the molecular formula C14H25NO2SSn and a molecular weight of 390.14 g/mol. Its IUPAC name is N-tert-butyl-2-(trimethylstannylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-2-(trimethylstannylmethyl)benzenesulfonamide
PubChem CID13372366
Molecular FormulaC14H25NO2SSn
Molecular Weight390.14 g/mol
Exact Mass391.06
IUPAC NameN-tert-butyl-2-(trimethylstannylmethyl)benzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccccc1C[Sn](C)(C)C
InChIInChI=1S/C11H16NO2S.3CH3.Sn/c1-9-7-5-6-8-10(9)15(13,14)12-11(2,3)4;;;;/h5-8,12H,1H2,2-4H3;3*1H3;
InChIKeyGDLXDMDUOHTJBK-UHFFFAOYSA-N
XLogP3.18
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.14
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-2-[(thiophen-2-ylmethylamino)methyl]benzenesulfonamide
CID 48563028
N-tert-butyl-2-[(pyridin-3-ylmethylamino)methyl]benzenesulfonamide
CID 48563030
N-tert-butyl-2-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]benzenesulfonamide
CID 133468803
N-tert-butyl-2-[[(2-chloro-4-pyridinyl)amino]methyl]benzenesulfonamide
CID 133360241
4-[[[2-(tert-butylsulfamoyl)phenyl]methylamino]methyl]benzoic acid
CID 122030739
N-tert-butyl-2-[[(3-chlorophenyl)methylamino]methyl]benzenesulfonamide
CID 48563112
N-tert-butyl-2-methoxybenzenesulfonamide
CID 23448664
N-tert-butyl-3-ethylpyridine-2-sulfonamide
CID 117064164
N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119751222
2-[[(7-bromo-1,5-naphthyridin-4-yl)amino]methyl]-N-tert-butylbenzenesulfonamide
CID 133482451
1-[[2-(tert-butylsulfamoyl)phenyl]methyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine
CID 111260049
N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-4-(methylamino)butanamide;hydrochloride
CID 119751202

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(trimethylstannylmethyl)benzenesulfonamide?
The IUPAC name of N-tert-butyl-2-(trimethylstannylmethyl)benzenesulfonamide (CID 13372366) is N-tert-butyl-2-(trimethylstannylmethyl)benzenesulfonamide.
What is the SMILES notation for N-tert-butyl-2-(trimethylstannylmethyl)benzenesulfonamide?
The canonical SMILES for N-tert-butyl-2-(trimethylstannylmethyl)benzenesulfonamide is CC(C)(C)NS(=O)(=O)c1ccccc1C[Sn](C)(C)C.
What is the InChIKey of N-tert-butyl-2-(trimethylstannylmethyl)benzenesulfonamide?
The InChIKey is GDLXDMDUOHTJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16NO2S.3CH3.Sn/c1-9-7-5-6-8-10(9)15(13,14)12-11(2,3)4;;;;/h5-8,12H,1H2,2-4H3;3*1H3;.
What are the key properties of N-tert-butyl-2-(trimethylstannylmethyl)benzenesulfonamide?
N-tert-butyl-2-(trimethylstannylmethyl)benzenesulfonamide has a molecular weight of 390.14 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(trimethylstannylmethyl)benzenesulfonamide is sourced from PubChem (CID 13372366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).