tert-butyl N-[1-(benzenesulfonyl)indol-3-yl]sulfonylcarbamate

C19H20N2O6S2 — CID 163284603

IUPACtert-butyl N-[1-(benzenesulfonyl)indol-3-yl]sulfonylcarbamate
SMILESCC(C)(C)OC(=O)NS(=O)(=O)c1cn(S(=O)(=O)c2ccccc2)c2ccccc12
InChIInChI=1S/C19H20N2O6S2/c1-19(2,3)27-18(22)20-28(23,24)17-13-21(16-12-8-7-11-15(16)17)29(25,26)14-9-5-4-6-10-14/h4-13H,1-3H3,(H,20,22)
InChIKeySNLZWLHSXRDWEB-UHFFFAOYSA-N
MW436.51 g/mol
LogP3.09
Rot. Bonds4

About tert-butyl N-[1-(benzenesulfonyl)indol-3-yl]sulfonylcarbamate

tert-butyl N-[1-(benzenesulfonyl)indol-3-yl]sulfonylcarbamate (PubChem CID 163284603) has the molecular formula C19H20N2O6S2 and a molecular weight of 436.51 g/mol. Its IUPAC name is tert-butyl N-[1-(benzenesulfonyl)indol-3-yl]sulfonylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(benzenesulfonyl)indol-3-yl]sulfonylcarbamate
PubChem CID163284603
Molecular FormulaC19H20N2O6S2
Molecular Weight436.51 g/mol
Exact Mass436.08
IUPAC Nametert-butyl N-[1-(benzenesulfonyl)indol-3-yl]sulfonylcarbamate
SMILESCC(C)(C)OC(=O)NS(=O)(=O)c1cn(S(=O)(=O)c2ccccc2)c2ccccc12
InChIInChI=1S/C19H20N2O6S2/c1-19(2,3)27-18(22)20-28(23,24)17-13-21(16-12-8-7-11-15(16)17)29(25,26)14-9-5-4-6-10-14/h4-13H,1-3H3,(H,20,22)
InChIKeySNLZWLHSXRDWEB-UHFFFAOYSA-N
XLogP3.09
TPSA111.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(benzenesulfonyl)indol-3-yl]sulfonylcarbamate?
The IUPAC name of tert-butyl N-[1-(benzenesulfonyl)indol-3-yl]sulfonylcarbamate (CID 163284603) is tert-butyl N-[1-(benzenesulfonyl)indol-3-yl]sulfonylcarbamate.
What is the SMILES notation for tert-butyl N-[1-(benzenesulfonyl)indol-3-yl]sulfonylcarbamate?
The canonical SMILES for tert-butyl N-[1-(benzenesulfonyl)indol-3-yl]sulfonylcarbamate is CC(C)(C)OC(=O)NS(=O)(=O)c1cn(S(=O)(=O)c2ccccc2)c2ccccc12.
What is the InChIKey of tert-butyl N-[1-(benzenesulfonyl)indol-3-yl]sulfonylcarbamate?
The InChIKey is SNLZWLHSXRDWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O6S2/c1-19(2,3)27-18(22)20-28(23,24)17-13-21(16-12-8-7-11-15(16)17)29(25,26)14-9-5-4-6-10-14/h4-13H,1-3H3,(H,20,22).
What are the key properties of tert-butyl N-[1-(benzenesulfonyl)indol-3-yl]sulfonylcarbamate?
tert-butyl N-[1-(benzenesulfonyl)indol-3-yl]sulfonylcarbamate has a molecular weight of 436.51 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(benzenesulfonyl)indol-3-yl]sulfonylcarbamate is sourced from PubChem (CID 163284603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).