2-methoxy-5-(5,6,7,8-tetramethoxy-4-oxochromen-2-yl)benzenesulfonamide

C20H21NO9S — CID 141103624

IUPAC2-methoxy-5-(5,6,7,8-tetramethoxy-4-oxochromen-2-yl)benzenesulfonamide
SMILESCOc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1S(N)(=O)=O
InChIInChI=1S/C20H21NO9S/c1-25-12-7-6-10(8-14(12)31(21,23)24)13-9-11(22)15-16(26-2)18(27-3)20(29-5)19(28-4)17(15)30-13/h6-9H,1-5H3,(H2,21,23,24)
InChIKeyKAYREGHSVWVLIV-UHFFFAOYSA-N
MW451.45 g/mol
LogP2.15
Rot. Bonds7

About 2-methoxy-5-(5,6,7,8-tetramethoxy-4-oxochromen-2-yl)benzenesulfonamide

2-methoxy-5-(5,6,7,8-tetramethoxy-4-oxochromen-2-yl)benzenesulfonamide (PubChem CID 141103624) has the molecular formula C20H21NO9S and a molecular weight of 451.45 g/mol. Its IUPAC name is 2-methoxy-5-(5,6,7,8-tetramethoxy-4-oxochromen-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-(5,6,7,8-tetramethoxy-4-oxochromen-2-yl)benzenesulfonamide
PubChem CID141103624
Molecular FormulaC20H21NO9S
Molecular Weight451.45 g/mol
Exact Mass451.09
IUPAC Name2-methoxy-5-(5,6,7,8-tetramethoxy-4-oxochromen-2-yl)benzenesulfonamide
SMILESCOc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1S(N)(=O)=O
InChIInChI=1S/C20H21NO9S/c1-25-12-7-6-10(8-14(12)31(21,23)24)13-9-11(22)15-16(26-2)18(27-3)20(29-5)19(28-4)17(15)30-13/h6-9H,1-5H3,(H2,21,23,24)
InChIKeyKAYREGHSVWVLIV-UHFFFAOYSA-N
XLogP2.15
TPSA136.52 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.45
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-methoxy-5-(5,6,7,8-tetramethoxy-4-oxochromen-2-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
4,5-dimethoxy-N-methyl-2-(5,6,7,8-tetramethoxy-4-oxochromen-2-yl)benzenesulfonamide
CID 141103637
2-(3,4-dimethoxyphenyl)-6,7,8-trimethoxychromen-4-one
CID 44584772
2-(4,5-dimethoxy-2-methylphenyl)-5,6,7,8-tetramethoxychromen-4-one
CID 142929764
5,6,7-trimethoxy-2-phenyl-8-(5,6,7-trimethoxy-4-oxo-2-phenylchromen-8-yl)chromen-4-one
CID 14889330
5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one
CID 5281703
5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one;hydrochloride
CID 175431329
2-(4-chlorophenyl)-5,7,8-trimethoxychromen-4-one
CID 86239579
4,5-dimethoxy-2-(3,5,6,7,8-pentamethoxy-4-oxochromen-2-yl)benzenesulfonamide
CID 141103630
7-hydroxy-8-methoxy-4-oxo-2-phenylchromen-5-olate
CID 86289529
2-(3,4-dimethoxyphenyl)-5,7,8-trihydroxychromen-4-one
CID 71403910

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(5,6,7,8-tetramethoxy-4-oxochromen-2-yl)benzenesulfonamide?
The IUPAC name of 2-methoxy-5-(5,6,7,8-tetramethoxy-4-oxochromen-2-yl)benzenesulfonamide (CID 141103624) is 2-methoxy-5-(5,6,7,8-tetramethoxy-4-oxochromen-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-(5,6,7,8-tetramethoxy-4-oxochromen-2-yl)benzenesulfonamide?
The canonical SMILES for 2-methoxy-5-(5,6,7,8-tetramethoxy-4-oxochromen-2-yl)benzenesulfonamide is COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1S(N)(=O)=O.
What is the InChIKey of 2-methoxy-5-(5,6,7,8-tetramethoxy-4-oxochromen-2-yl)benzenesulfonamide?
The InChIKey is KAYREGHSVWVLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO9S/c1-25-12-7-6-10(8-14(12)31(21,23)24)13-9-11(22)15-16(26-2)18(27-3)20(29-5)19(28-4)17(15)30-13/h6-9H,1-5H3,(H2,21,23,24).
What are the key properties of 2-methoxy-5-(5,6,7,8-tetramethoxy-4-oxochromen-2-yl)benzenesulfonamide?
2-methoxy-5-(5,6,7,8-tetramethoxy-4-oxochromen-2-yl)benzenesulfonamide has a molecular weight of 451.45 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(5,6,7,8-tetramethoxy-4-oxochromen-2-yl)benzenesulfonamide is sourced from PubChem (CID 141103624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).