(E)-N-(3-hydroxy-4-methoxyphenyl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide

C18H21NO7S — CID 11486259

IUPAC(E)-N-(3-hydroxy-4-methoxyphenyl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide
SMILESCOc1cc(OC)c(/C=C/S(=O)(=O)Nc2ccc(OC)c(O)c2)c(OC)c1
InChIInChI=1S/C18H21NO7S/c1-23-13-10-17(25-3)14(18(11-13)26-4)7-8-27(21,22)19-12-5-6-16(24-2)15(20)9-12/h5-11,19-20H,1-4H3/b8-7+
InChIKeyGZAXTJIYUCUXDY-BQYQJAHWSA-N
MW395.43 g/mol
LogP2.84
Rot. Bonds8

About (E)-N-(3-hydroxy-4-methoxyphenyl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide

(E)-N-(3-hydroxy-4-methoxyphenyl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide (PubChem CID 11486259) has the molecular formula C18H21NO7S and a molecular weight of 395.43 g/mol. Its IUPAC name is (E)-N-(3-hydroxy-4-methoxyphenyl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide.

Molecular Properties

Compound Name(E)-N-(3-hydroxy-4-methoxyphenyl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide
PubChem CID11486259
Molecular FormulaC18H21NO7S
Molecular Weight395.43 g/mol
Exact Mass395.10
IUPAC Name(E)-N-(3-hydroxy-4-methoxyphenyl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide
SMILESCOc1cc(OC)c(/C=C/S(=O)(=O)Nc2ccc(OC)c(O)c2)c(OC)c1
InChIInChI=1S/C18H21NO7S/c1-23-13-10-17(25-3)14(18(11-13)26-4)7-8-27(21,22)19-12-5-6-16(24-2)15(20)9-12/h5-11,19-20H,1-4H3/b8-7+
InChIKeyGZAXTJIYUCUXDY-BQYQJAHWSA-N
XLogP2.84
TPSA103.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-hydroxy-4-methoxyphenyl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide?
The IUPAC name of (E)-N-(3-hydroxy-4-methoxyphenyl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide (CID 11486259) is (E)-N-(3-hydroxy-4-methoxyphenyl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide.
What is the SMILES notation for (E)-N-(3-hydroxy-4-methoxyphenyl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide?
The canonical SMILES for (E)-N-(3-hydroxy-4-methoxyphenyl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide is COc1cc(OC)c(/C=C/S(=O)(=O)Nc2ccc(OC)c(O)c2)c(OC)c1.
What is the InChIKey of (E)-N-(3-hydroxy-4-methoxyphenyl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide?
The InChIKey is GZAXTJIYUCUXDY-BQYQJAHWSA-N. The full InChI is InChI=1S/C18H21NO7S/c1-23-13-10-17(25-3)14(18(11-13)26-4)7-8-27(21,22)19-12-5-6-16(24-2)15(20)9-12/h5-11,19-20H,1-4H3/b8-7+.
What are the key properties of (E)-N-(3-hydroxy-4-methoxyphenyl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide?
(E)-N-(3-hydroxy-4-methoxyphenyl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide has a molecular weight of 395.43 g/mol, XLogP of 2.84, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-hydroxy-4-methoxyphenyl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide is sourced from PubChem (CID 11486259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).