[1-(benzenesulfonyl)indol-2-yl]-trimethylstannane

C17H19NO2SSn — CID 15421387

IUPAC[1-(benzenesulfonyl)indol-2-yl]-trimethylstannane
SMILESC[Sn](C)(C)c1cc2ccccc2n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H10NO2S.3CH3.Sn/c16-18(17,13-7-2-1-3-8-13)15-11-10-12-6-4-5-9-14(12)15;;;;/h1-10H;3*1H3;
InChIKeyDHWGYHSZBRDXEX-UHFFFAOYSA-N
MW420.12 g/mol
LogP3.42
Rot. Bonds3

About [1-(benzenesulfonyl)indol-2-yl]-trimethylstannane

[1-(benzenesulfonyl)indol-2-yl]-trimethylstannane (PubChem CID 15421387) has the molecular formula C17H19NO2SSn and a molecular weight of 420.12 g/mol. Its IUPAC name is [1-(benzenesulfonyl)indol-2-yl]-trimethylstannane.

Molecular Properties

Compound Name[1-(benzenesulfonyl)indol-2-yl]-trimethylstannane
PubChem CID15421387
Molecular FormulaC17H19NO2SSn
Molecular Weight420.12 g/mol
Exact Mass421.02
IUPAC Name[1-(benzenesulfonyl)indol-2-yl]-trimethylstannane
SMILESC[Sn](C)(C)c1cc2ccccc2n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H10NO2S.3CH3.Sn/c16-18(17,13-7-2-1-3-8-13)15-11-10-12-6-4-5-9-14(12)15;;;;/h1-10H;3*1H3;
InChIKeyDHWGYHSZBRDXEX-UHFFFAOYSA-N
XLogP3.42
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.12
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 88588324
CID 88588324
1-(benzenesulfonyl)-2-chloroindole
CID 14416100
1-(benzenesulfonyl)-2-(chloromethyl)indole
CID 18925433
1-(benzenesulfonyl)-2-(2-methylphenyl)indole
CID 173032867
1-(benzenesulfonyl)indole-2-carbonyl chloride
CID 2776221
1-[1-(benzenesulfonyl)indol-2-yl]-3-methylbut-2-en-1-one
CID 23254190
1-(benzenesulfonyl)-2-(1-ethylsulfanylethyl)indole
CID 14615864
2-fluoro-1-(4-methylphenyl)sulfonylindole
CID 14921041
3-[1-(benzenesulfonyl)indol-2-yl]prop-2-enoic acid
CID 67045077
ethyl 1-(benzenesulfonyl)indole-2-carboxylate
CID 506886
1-(benzenesulfonyl)-2-methylbenzimidazole
CID 3468368
2-benzyl-1-(4-methylphenyl)sulfonylindole
CID 139092275

Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)indol-2-yl]-trimethylstannane?
The IUPAC name of [1-(benzenesulfonyl)indol-2-yl]-trimethylstannane (CID 15421387) is [1-(benzenesulfonyl)indol-2-yl]-trimethylstannane.
What is the SMILES notation for [1-(benzenesulfonyl)indol-2-yl]-trimethylstannane?
The canonical SMILES for [1-(benzenesulfonyl)indol-2-yl]-trimethylstannane is C[Sn](C)(C)c1cc2ccccc2n1S(=O)(=O)c1ccccc1.
What is the InChIKey of [1-(benzenesulfonyl)indol-2-yl]-trimethylstannane?
The InChIKey is DHWGYHSZBRDXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10NO2S.3CH3.Sn/c16-18(17,13-7-2-1-3-8-13)15-11-10-12-6-4-5-9-14(12)15;;;;/h1-10H;3*1H3;.
What are the key properties of [1-(benzenesulfonyl)indol-2-yl]-trimethylstannane?
[1-(benzenesulfonyl)indol-2-yl]-trimethylstannane has a molecular weight of 420.12 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)indol-2-yl]-trimethylstannane is sourced from PubChem (CID 15421387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).