2-piperidin-1-ylsulfonylanthracene-9,10-dione

C19H17NO4S — CID 2838197

IUPAC2-piperidin-1-ylsulfonylanthracene-9,10-dione
SMILESO=C1c2ccccc2C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc21
InChIInChI=1S/C19H17NO4S/c21-18-14-6-2-3-7-15(14)19(22)17-12-13(8-9-16(17)18)25(23,24)20-10-4-1-5-11-20/h2-3,6-9,12H,1,4-5,10-11H2
InChIKeyQLOWRQGENQBSNC-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.64
Rot. Bonds2

About 2-piperidin-1-ylsulfonylanthracene-9,10-dione

2-piperidin-1-ylsulfonylanthracene-9,10-dione (PubChem CID 2838197) has the molecular formula C19H17NO4S and a molecular weight of 355.42 g/mol. Its IUPAC name is 2-piperidin-1-ylsulfonylanthracene-9,10-dione.

Molecular Properties

Compound Name2-piperidin-1-ylsulfonylanthracene-9,10-dione
PubChem CID2838197
Molecular FormulaC19H17NO4S
Molecular Weight355.42 g/mol
Exact Mass355.09
IUPAC Name2-piperidin-1-ylsulfonylanthracene-9,10-dione
SMILESO=C1c2ccccc2C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc21
InChIInChI=1S/C19H17NO4S/c21-18-14-6-2-3-7-15(14)19(22)17-12-13(8-9-16(17)18)25(23,24)20-10-4-1-5-11-20/h2-3,6-9,12H,1,4-5,10-11H2
InChIKeyQLOWRQGENQBSNC-UHFFFAOYSA-N
XLogP2.64
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-9,10-dioxoanthracene-2-sulfonamide
CID 2829333
N,N-dimethyl-9,10-dioxoanthracene-1-sulfonamide
CID 4112659
8a-benzyl-2-(4-tert-butylphenylsulfonyl)-1,2,3,4,8,8a-hexahydroisoquinolin-6(7H)-one
CID 24180659
(R)-8a-benzyl-2-(4-tert-butylphenylsulfonyl)-1,2,3,4,8,8a-hexahydroisoquinolin-6(7H)-one
CID 44442927
8a-benzyl-2-(biphenyl-4-sulfonyl)-1,3,4,7,8,8a-hexahydro-2H-isoquinolin-6-one
CID 44442929
2-[(3R,4R,4aS,8aR)-4-methyl-2-(4-methylphenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-3-yl]-1-phenylethanone
CID 42627927
2,7-Bis[(4-tert-butylazepan-1-yl)sulfonyl]anthracene-9,10-dione
CID 46851998
3-benzyl-6-(4-methylpiperidin-1-yl)sulfonyl-3H-indene-1,2-dione
CID 154732725
1-[4-(3,4-Dihydro-1H-isoquinoline-2-sulfonyl)-phenyl]-ethanone
CID 863776
N,N-bis(2-hydroxyethyl)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonamide
CID 7122773
2,7-Bis[(4-methylpiperidyl)sulfonyl]fluoren-9-one
CID 991357
N-methyl-9,10-dioxoanthracene-2-sulfonamide
CID 7113016

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylsulfonylanthracene-9,10-dione?
The IUPAC name of 2-piperidin-1-ylsulfonylanthracene-9,10-dione (CID 2838197) is 2-piperidin-1-ylsulfonylanthracene-9,10-dione.
What is the SMILES notation for 2-piperidin-1-ylsulfonylanthracene-9,10-dione?
The canonical SMILES for 2-piperidin-1-ylsulfonylanthracene-9,10-dione is O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc21.
What is the InChIKey of 2-piperidin-1-ylsulfonylanthracene-9,10-dione?
The InChIKey is QLOWRQGENQBSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4S/c21-18-14-6-2-3-7-15(14)19(22)17-12-13(8-9-16(17)18)25(23,24)20-10-4-1-5-11-20/h2-3,6-9,12H,1,4-5,10-11H2.
What are the key properties of 2-piperidin-1-ylsulfonylanthracene-9,10-dione?
2-piperidin-1-ylsulfonylanthracene-9,10-dione has a molecular weight of 355.42 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylsulfonylanthracene-9,10-dione is sourced from PubChem (CID 2838197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).