4,5-dimethoxy-2-(3,5,6,7,8-pentamethoxy-4-oxochromen-2-yl)benzenesulfonamide

C22H25NO11S — CID 141103630

IUPAC4,5-dimethoxy-2-(3,5,6,7,8-pentamethoxy-4-oxochromen-2-yl)benzenesulfonamide
SMILESCOc1cc(-c2oc3c(OC)c(OC)c(OC)c(OC)c3c(=O)c2OC)c(S(N)(=O)=O)cc1OC
InChIInChI=1S/C22H25NO11S/c1-27-11-8-10(13(35(23,25)26)9-12(11)28-2)16-19(30-4)15(24)14-17(29-3)20(31-5)22(33-7)21(32-6)18(14)34-16/h8-9H,1-7H3,(H2,23,25,26)
InChIKeyOLSKAFBEPWHFPD-UHFFFAOYSA-N
MW511.51 g/mol
LogP2.17
Rot. Bonds9

About 4,5-dimethoxy-2-(3,5,6,7,8-pentamethoxy-4-oxochromen-2-yl)benzenesulfonamide

4,5-dimethoxy-2-(3,5,6,7,8-pentamethoxy-4-oxochromen-2-yl)benzenesulfonamide (PubChem CID 141103630) has the molecular formula C22H25NO11S and a molecular weight of 511.51 g/mol. Its IUPAC name is 4,5-dimethoxy-2-(3,5,6,7,8-pentamethoxy-4-oxochromen-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4,5-dimethoxy-2-(3,5,6,7,8-pentamethoxy-4-oxochromen-2-yl)benzenesulfonamide
PubChem CID141103630
Molecular FormulaC22H25NO11S
Molecular Weight511.51 g/mol
Exact Mass511.11
IUPAC Name4,5-dimethoxy-2-(3,5,6,7,8-pentamethoxy-4-oxochromen-2-yl)benzenesulfonamide
SMILESCOc1cc(-c2oc3c(OC)c(OC)c(OC)c(OC)c3c(=O)c2OC)c(S(N)(=O)=O)cc1OC
InChIInChI=1S/C22H25NO11S/c1-27-11-8-10(13(35(23,25)26)9-12(11)28-2)16-19(30-4)15(24)14-17(29-3)20(31-5)22(33-7)21(32-6)18(14)34-16/h8-9H,1-7H3,(H2,23,25,26)
InChIKeyOLSKAFBEPWHFPD-UHFFFAOYSA-N
XLogP2.17
TPSA154.98 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.51
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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Related Compounds

4,5-dimethoxy-N-methyl-2-(3,5,6,7,8-pentamethoxy-4-oxochromen-2-yl)benzenesulfonamide
CID 141103629
2-(4,5-dimethoxy-2-piperidin-1-ylsulfonylphenyl)-3,5,6,7,8-pentamethoxychromen-4-one
CID 141103631
4,5-dimethoxy-N-methyl-2-(5,6,7,8-tetramethoxy-4-oxochromen-2-yl)benzenesulfonamide
CID 141103637
2-methoxy-5-(5,6,7,8-tetramethoxy-4-oxochromen-2-yl)benzenesulfonamide
CID 141103624
2-(2,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-8-methoxychromen-4-one
CID 163060449
2-(2,3-dihydroxyphenyl)-8-hydroxy-3,5,6,7-tetramethoxychromen-4-one
CID 172651857
2-(4,5-dimethoxy-2-methylphenyl)-5,6,7,8-tetramethoxychromen-4-one
CID 142929764
4,5-dimethoxy-2-methylbenzenesulfonamide
CID 35299033
2-(3,4-dihydroxyphenyl)-5-hydroxy-7,8-dimethoxy-3-methylchromen-4-one
CID 14873686
[6-acetyloxy-3,7,8-trimethoxy-2-(4-methoxyphenyl)-4-oxochromen-5-yl] acetate
CID 10742532
7-hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-3,5,6-trimethoxychromen-4-one
CID 5316815
2-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5,6,7,8-tetramethoxy-3-methylchromen-4-one
CID 626353

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-2-(3,5,6,7,8-pentamethoxy-4-oxochromen-2-yl)benzenesulfonamide?
The IUPAC name of 4,5-dimethoxy-2-(3,5,6,7,8-pentamethoxy-4-oxochromen-2-yl)benzenesulfonamide (CID 141103630) is 4,5-dimethoxy-2-(3,5,6,7,8-pentamethoxy-4-oxochromen-2-yl)benzenesulfonamide.
What is the SMILES notation for 4,5-dimethoxy-2-(3,5,6,7,8-pentamethoxy-4-oxochromen-2-yl)benzenesulfonamide?
The canonical SMILES for 4,5-dimethoxy-2-(3,5,6,7,8-pentamethoxy-4-oxochromen-2-yl)benzenesulfonamide is COc1cc(-c2oc3c(OC)c(OC)c(OC)c(OC)c3c(=O)c2OC)c(S(N)(=O)=O)cc1OC.
What is the InChIKey of 4,5-dimethoxy-2-(3,5,6,7,8-pentamethoxy-4-oxochromen-2-yl)benzenesulfonamide?
The InChIKey is OLSKAFBEPWHFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO11S/c1-27-11-8-10(13(35(23,25)26)9-12(11)28-2)16-19(30-4)15(24)14-17(29-3)20(31-5)22(33-7)21(32-6)18(14)34-16/h8-9H,1-7H3,(H2,23,25,26).
What are the key properties of 4,5-dimethoxy-2-(3,5,6,7,8-pentamethoxy-4-oxochromen-2-yl)benzenesulfonamide?
4,5-dimethoxy-2-(3,5,6,7,8-pentamethoxy-4-oxochromen-2-yl)benzenesulfonamide has a molecular weight of 511.51 g/mol, XLogP of 2.17, 9 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-2-(3,5,6,7,8-pentamethoxy-4-oxochromen-2-yl)benzenesulfonamide is sourced from PubChem (CID 141103630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).