5,6,7,8-tetramethoxy-2-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)chromen-4-one

C25H29NO9S — CID 141103639

IUPAC5,6,7,8-tetramethoxy-2-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)chromen-4-one
SMILESCOc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C25H29NO9S/c1-30-17-10-9-15(13-19(17)36(28,29)26-11-7-6-8-12-26)18-14-16(27)20-21(31-2)23(32-3)25(34-5)24(33-4)22(20)35-18/h9-10,13-14H,6-8,11-12H2,1-5H3
InChIKeyGNSRUHNUUJVDCM-UHFFFAOYSA-N
MW519.57 g/mol
LogP3.68
Rot. Bonds8

About 5,6,7,8-tetramethoxy-2-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)chromen-4-one

5,6,7,8-tetramethoxy-2-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)chromen-4-one (PubChem CID 141103639) has the molecular formula C25H29NO9S and a molecular weight of 519.57 g/mol. Its IUPAC name is 5,6,7,8-tetramethoxy-2-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)chromen-4-one.

Molecular Properties

Compound Name5,6,7,8-tetramethoxy-2-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)chromen-4-one
PubChem CID141103639
Molecular FormulaC25H29NO9S
Molecular Weight519.57 g/mol
Exact Mass519.16
IUPAC Name5,6,7,8-tetramethoxy-2-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)chromen-4-one
SMILESCOc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C25H29NO9S/c1-30-17-10-9-15(13-19(17)36(28,29)26-11-7-6-8-12-26)18-14-16(27)20-21(31-2)23(32-3)25(34-5)24(33-4)22(20)35-18/h9-10,13-14H,6-8,11-12H2,1-5H3
InChIKeyGNSRUHNUUJVDCM-UHFFFAOYSA-N
XLogP3.68
TPSA113.74 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.57
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

2-methoxy-5-(5,6,7,8-tetramethoxy-4-oxochromen-2-yl)benzenesulfonamide
CID 141103624
5,6,7,8-tetramethoxy-2-(4-methoxy-3-nitrophenyl)chromen-4-one
CID 44583489
2-(3,4-dimethoxyphenyl)-5-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole
CID 53098024
2-(4,5-dimethoxy-2-piperidin-1-ylsulfonylphenyl)-3,5,6,7,8-pentamethoxychromen-4-one
CID 141103631
1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine
CID 849991
1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine
CID 757936
1-(5-ethyl-2-methoxyphenyl)sulfonylpyrrolidine
CID 6457843
1-(5-tert-butyl-2-methoxyphenyl)sulfonylpyrrolidine
CID 935087
1-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 39382905
5-[3-(1,4-diazepan-1-ylsulfonyl)-4-methoxyphenyl]-1,2-oxazole
CID 122567822
1-(4-methoxy-2,3-dimethylphenyl)sulfonylazepane
CID 6472720
1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidine
CID 778428

Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetramethoxy-2-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)chromen-4-one?
The IUPAC name of 5,6,7,8-tetramethoxy-2-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)chromen-4-one (CID 141103639) is 5,6,7,8-tetramethoxy-2-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)chromen-4-one.
What is the SMILES notation for 5,6,7,8-tetramethoxy-2-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)chromen-4-one?
The canonical SMILES for 5,6,7,8-tetramethoxy-2-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)chromen-4-one is COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 5,6,7,8-tetramethoxy-2-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)chromen-4-one?
The InChIKey is GNSRUHNUUJVDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO9S/c1-30-17-10-9-15(13-19(17)36(28,29)26-11-7-6-8-12-26)18-14-16(27)20-21(31-2)23(32-3)25(34-5)24(33-4)22(20)35-18/h9-10,13-14H,6-8,11-12H2,1-5H3.
What are the key properties of 5,6,7,8-tetramethoxy-2-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)chromen-4-one?
5,6,7,8-tetramethoxy-2-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)chromen-4-one has a molecular weight of 519.57 g/mol, XLogP of 3.68, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetramethoxy-2-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)chromen-4-one is sourced from PubChem (CID 141103639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).