4,5-dimethoxy-N-methyl-2-(5,6,7,8-tetramethoxy-4-oxochromen-2-yl)benzenesulfonamide

C22H25NO10S — CID 141103637

IUPAC4,5-dimethoxy-N-methyl-2-(5,6,7,8-tetramethoxy-4-oxochromen-2-yl)benzenesulfonamide
SMILESCNS(=O)(=O)c1cc(OC)c(OC)cc1-c1cc(=O)c2c(OC)c(OC)c(OC)c(OC)c2o1
InChIInChI=1S/C22H25NO10S/c1-23-34(25,26)16-10-15(28-3)14(27-2)8-11(16)13-9-12(24)17-18(29-4)20(30-5)22(32-7)21(31-6)19(17)33-13/h8-10,23H,1-7H3
InChIKeyXAZSECLIQPHWEE-UHFFFAOYSA-N
MW495.51 g/mol
LogP2.42
Rot. Bonds9

About 4,5-dimethoxy-N-methyl-2-(5,6,7,8-tetramethoxy-4-oxochromen-2-yl)benzenesulfonamide

4,5-dimethoxy-N-methyl-2-(5,6,7,8-tetramethoxy-4-oxochromen-2-yl)benzenesulfonamide (PubChem CID 141103637) has the molecular formula C22H25NO10S and a molecular weight of 495.51 g/mol. Its IUPAC name is 4,5-dimethoxy-N-methyl-2-(5,6,7,8-tetramethoxy-4-oxochromen-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4,5-dimethoxy-N-methyl-2-(5,6,7,8-tetramethoxy-4-oxochromen-2-yl)benzenesulfonamide
PubChem CID141103637
Molecular FormulaC22H25NO10S
Molecular Weight495.51 g/mol
Exact Mass495.12
IUPAC Name4,5-dimethoxy-N-methyl-2-(5,6,7,8-tetramethoxy-4-oxochromen-2-yl)benzenesulfonamide
SMILESCNS(=O)(=O)c1cc(OC)c(OC)cc1-c1cc(=O)c2c(OC)c(OC)c(OC)c(OC)c2o1
InChIInChI=1S/C22H25NO10S/c1-23-34(25,26)16-10-15(28-3)14(27-2)8-11(16)13-9-12(24)17-18(29-4)20(30-5)22(32-7)21(31-6)19(17)33-13/h8-10,23H,1-7H3
InChIKeyXAZSECLIQPHWEE-UHFFFAOYSA-N
XLogP2.42
TPSA131.76 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.51
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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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-methylphenyl)-5,6,7,8-tetramethoxychromen-4-one
CID 142929764
2-methoxy-5-(5,6,7,8-tetramethoxy-4-oxochromen-2-yl)benzenesulfonamide
CID 141103624
4,5-dimethoxy-2-(3,5,6,7,8-pentamethoxy-4-oxochromen-2-yl)benzenesulfonamide
CID 141103630
5,6,7,8-tetramethoxy-2-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)chromen-4-one
CID 141103639
5,6,7,8-tetramethoxy-2-(4-methoxy-3-nitrophenyl)chromen-4-one
CID 44583489
2-(4,5-dimethoxy-2-piperidin-1-ylsulfonylphenyl)-3,5,6,7,8-pentamethoxychromen-4-one
CID 141103631
5,6,7-trimethoxy-2-phenyl-8-(5,6,7-trimethoxy-4-oxo-2-phenylchromen-8-yl)chromen-4-one
CID 14889330
6,7-dimethoxy-N-methyl-4-oxo-1H-quinoline-3-sulfonamide
CID 70408239
2,5-dimethoxy-N,4-dimethylbenzenesulfonamide
CID 50876508
2-methoxy-N,4,5-trimethylbenzenesulfonamide
CID 27243257
2-(2,4-dihydroxy-5-methoxyphenyl)-5,7,8-trihydroxychromen-4-one
CID 102403396

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-N-methyl-2-(5,6,7,8-tetramethoxy-4-oxochromen-2-yl)benzenesulfonamide?
The IUPAC name of 4,5-dimethoxy-N-methyl-2-(5,6,7,8-tetramethoxy-4-oxochromen-2-yl)benzenesulfonamide (CID 141103637) is 4,5-dimethoxy-N-methyl-2-(5,6,7,8-tetramethoxy-4-oxochromen-2-yl)benzenesulfonamide.
What is the SMILES notation for 4,5-dimethoxy-N-methyl-2-(5,6,7,8-tetramethoxy-4-oxochromen-2-yl)benzenesulfonamide?
The canonical SMILES for 4,5-dimethoxy-N-methyl-2-(5,6,7,8-tetramethoxy-4-oxochromen-2-yl)benzenesulfonamide is CNS(=O)(=O)c1cc(OC)c(OC)cc1-c1cc(=O)c2c(OC)c(OC)c(OC)c(OC)c2o1.
What is the InChIKey of 4,5-dimethoxy-N-methyl-2-(5,6,7,8-tetramethoxy-4-oxochromen-2-yl)benzenesulfonamide?
The InChIKey is XAZSECLIQPHWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO10S/c1-23-34(25,26)16-10-15(28-3)14(27-2)8-11(16)13-9-12(24)17-18(29-4)20(30-5)22(32-7)21(31-6)19(17)33-13/h8-10,23H,1-7H3.
What are the key properties of 4,5-dimethoxy-N-methyl-2-(5,6,7,8-tetramethoxy-4-oxochromen-2-yl)benzenesulfonamide?
4,5-dimethoxy-N-methyl-2-(5,6,7,8-tetramethoxy-4-oxochromen-2-yl)benzenesulfonamide has a molecular weight of 495.51 g/mol, XLogP of 2.42, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-N-methyl-2-(5,6,7,8-tetramethoxy-4-oxochromen-2-yl)benzenesulfonamide is sourced from PubChem (CID 141103637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).