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

C23H27NO11S — CID 141103629

IUPAC4,5-dimethoxy-N-methyl-2-(3,5,6,7,8-pentamethoxy-4-oxochromen-2-yl)benzenesulfonamide
SMILESCNS(=O)(=O)c1cc(OC)c(OC)cc1-c1oc2c(OC)c(OC)c(OC)c(OC)c2c(=O)c1OC
InChIInChI=1S/C23H27NO11S/c1-24-36(26,27)14-10-13(29-3)12(28-2)9-11(14)17-20(31-5)16(25)15-18(30-4)21(32-6)23(34-8)22(33-7)19(15)35-17/h9-10,24H,1-8H3
InChIKeyVHUCFZQTFPJUJK-UHFFFAOYSA-N
MW525.53 g/mol
LogP2.43
Rot. Bonds10

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

4,5-dimethoxy-N-methyl-2-(3,5,6,7,8-pentamethoxy-4-oxochromen-2-yl)benzenesulfonamide (PubChem CID 141103629) has the molecular formula C23H27NO11S and a molecular weight of 525.53 g/mol. Its IUPAC name is 4,5-dimethoxy-N-methyl-2-(3,5,6,7,8-pentamethoxy-4-oxochromen-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4,5-dimethoxy-N-methyl-2-(3,5,6,7,8-pentamethoxy-4-oxochromen-2-yl)benzenesulfonamide
PubChem CID141103629
Molecular FormulaC23H27NO11S
Molecular Weight525.53 g/mol
Exact Mass525.13
IUPAC Name4,5-dimethoxy-N-methyl-2-(3,5,6,7,8-pentamethoxy-4-oxochromen-2-yl)benzenesulfonamide
SMILESCNS(=O)(=O)c1cc(OC)c(OC)cc1-c1oc2c(OC)c(OC)c(OC)c(OC)c2c(=O)c1OC
InChIInChI=1S/C23H27NO11S/c1-24-36(26,27)14-10-13(29-3)12(28-2)9-11(14)17-20(31-5)16(25)15-18(30-4)21(32-6)23(34-8)22(33-7)19(15)35-17/h9-10,24H,1-8H3
InChIKeyVHUCFZQTFPJUJK-UHFFFAOYSA-N
XLogP2.43
TPSA140.99 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.53
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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Related Compounds

4,5-dimethoxy-2-(3,5,6,7,8-pentamethoxy-4-oxochromen-2-yl)benzenesulfonamide
CID 141103630
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
6,7-dimethoxy-N-methyl-4-oxo-1H-quinoline-3-sulfonamide
CID 70408239
2-(4,5-dimethoxy-2-methylphenyl)-5,6,7,8-tetramethoxychromen-4-one
CID 142929764
2-(2,3-dihydroxyphenyl)-8-hydroxy-3,5,6,7-tetramethoxychromen-4-one
CID 172651857
2,5-dimethoxy-N,4-dimethylbenzenesulfonamide
CID 50876508
2-methoxy-N,4,5-trimethylbenzenesulfonamide
CID 27243257
2-(2,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-8-methoxychromen-4-one
CID 163060449
[6-acetyloxy-3,7,8-trimethoxy-2-(4-methoxyphenyl)-4-oxochromen-5-yl] acetate
CID 10742532
2-methoxy-5-(5,6,7,8-tetramethoxy-4-oxochromen-2-yl)benzenesulfonamide
CID 141103624
4-(2,5-dioxopyrrol-1-yl)-2,5-dimethoxy-N-methylbenzenesulfonamide
CID 21256278

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-N-methyl-2-(3,5,6,7,8-pentamethoxy-4-oxochromen-2-yl)benzenesulfonamide?
The IUPAC name of 4,5-dimethoxy-N-methyl-2-(3,5,6,7,8-pentamethoxy-4-oxochromen-2-yl)benzenesulfonamide (CID 141103629) is 4,5-dimethoxy-N-methyl-2-(3,5,6,7,8-pentamethoxy-4-oxochromen-2-yl)benzenesulfonamide.
What is the SMILES notation for 4,5-dimethoxy-N-methyl-2-(3,5,6,7,8-pentamethoxy-4-oxochromen-2-yl)benzenesulfonamide?
The canonical SMILES for 4,5-dimethoxy-N-methyl-2-(3,5,6,7,8-pentamethoxy-4-oxochromen-2-yl)benzenesulfonamide is CNS(=O)(=O)c1cc(OC)c(OC)cc1-c1oc2c(OC)c(OC)c(OC)c(OC)c2c(=O)c1OC.
What is the InChIKey of 4,5-dimethoxy-N-methyl-2-(3,5,6,7,8-pentamethoxy-4-oxochromen-2-yl)benzenesulfonamide?
The InChIKey is VHUCFZQTFPJUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO11S/c1-24-36(26,27)14-10-13(29-3)12(28-2)9-11(14)17-20(31-5)16(25)15-18(30-4)21(32-6)23(34-8)22(33-7)19(15)35-17/h9-10,24H,1-8H3.
What are the key properties of 4,5-dimethoxy-N-methyl-2-(3,5,6,7,8-pentamethoxy-4-oxochromen-2-yl)benzenesulfonamide?
4,5-dimethoxy-N-methyl-2-(3,5,6,7,8-pentamethoxy-4-oxochromen-2-yl)benzenesulfonamide has a molecular weight of 525.53 g/mol, XLogP of 2.43, 10 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-N-methyl-2-(3,5,6,7,8-pentamethoxy-4-oxochromen-2-yl)benzenesulfonamide is sourced from PubChem (CID 141103629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).