8-bromo-1-methyl-6-piperidin-1-ylsulfonylbenzo[cd]indol-2-one

C17H17BrN2O3S — CID 51703453

IUPAC8-bromo-1-methyl-6-piperidin-1-ylsulfonylbenzo[cd]indol-2-one
SMILESCN1C(=O)c2cccc3c(S(=O)(=O)N4CCCCC4)cc(Br)c1c23
InChIInChI=1S/C17H17BrN2O3S/c1-19-16-13(18)10-14(24(22,23)20-8-3-2-4-9-20)11-6-5-7-12(15(11)16)17(19)21/h5-7,10H,2-4,8-9H2,1H3
InChIKeyNQYDIXJRIQFBGA-UHFFFAOYSA-N
MW409.31 g/mol
LogP3.37
Rot. Bonds2

About 8-bromo-1-methyl-6-piperidin-1-ylsulfonylbenzo[cd]indol-2-one

8-bromo-1-methyl-6-piperidin-1-ylsulfonylbenzo[cd]indol-2-one (PubChem CID 51703453) has the molecular formula C17H17BrN2O3S and a molecular weight of 409.31 g/mol. Its IUPAC name is 8-bromo-1-methyl-6-piperidin-1-ylsulfonylbenzo[cd]indol-2-one.

Molecular Properties

Compound Name8-bromo-1-methyl-6-piperidin-1-ylsulfonylbenzo[cd]indol-2-one
PubChem CID51703453
Molecular FormulaC17H17BrN2O3S
Molecular Weight409.31 g/mol
Exact Mass408.01
IUPAC Name8-bromo-1-methyl-6-piperidin-1-ylsulfonylbenzo[cd]indol-2-one
SMILESCN1C(=O)c2cccc3c(S(=O)(=O)N4CCCCC4)cc(Br)c1c23
InChIInChI=1S/C17H17BrN2O3S/c1-19-16-13(18)10-14(24(22,23)20-8-3-2-4-9-20)11-6-5-7-12(15(11)16)17(19)21/h5-7,10H,2-4,8-9H2,1H3
InChIKeyNQYDIXJRIQFBGA-UHFFFAOYSA-N
XLogP3.37
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.31
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-1-methyl-6-piperidin-1-ylsulfonylbenzo[cd]indol-2-one?
The IUPAC name of 8-bromo-1-methyl-6-piperidin-1-ylsulfonylbenzo[cd]indol-2-one (CID 51703453) is 8-bromo-1-methyl-6-piperidin-1-ylsulfonylbenzo[cd]indol-2-one.
What is the SMILES notation for 8-bromo-1-methyl-6-piperidin-1-ylsulfonylbenzo[cd]indol-2-one?
The canonical SMILES for 8-bromo-1-methyl-6-piperidin-1-ylsulfonylbenzo[cd]indol-2-one is CN1C(=O)c2cccc3c(S(=O)(=O)N4CCCCC4)cc(Br)c1c23.
What is the InChIKey of 8-bromo-1-methyl-6-piperidin-1-ylsulfonylbenzo[cd]indol-2-one?
The InChIKey is NQYDIXJRIQFBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O3S/c1-19-16-13(18)10-14(24(22,23)20-8-3-2-4-9-20)11-6-5-7-12(15(11)16)17(19)21/h5-7,10H,2-4,8-9H2,1H3.
What are the key properties of 8-bromo-1-methyl-6-piperidin-1-ylsulfonylbenzo[cd]indol-2-one?
8-bromo-1-methyl-6-piperidin-1-ylsulfonylbenzo[cd]indol-2-one has a molecular weight of 409.31 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-1-methyl-6-piperidin-1-ylsulfonylbenzo[cd]indol-2-one is sourced from PubChem (CID 51703453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).