(E)-N-(6-methoxy-3-pyridinyl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide

C17H20N2O6S — CID 134135327

IUPAC(E)-N-(6-methoxy-3-pyridinyl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide
SMILESCOc1cc(OC)c(/C=C/S(=O)(=O)Nc2ccc(OC)nc2)c(OC)c1
InChIInChI=1S/C17H20N2O6S/c1-22-13-9-15(23-2)14(16(10-13)24-3)7-8-26(20,21)19-12-5-6-17(25-4)18-11-12/h5-11,19H,1-4H3/b8-7+
InChIKeyADPJLUFVSWLEDG-BQYQJAHWSA-N
MW380.42 g/mol
LogP2.53
Rot. Bonds8

About (E)-N-(6-methoxy-3-pyridinyl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide

(E)-N-(6-methoxy-3-pyridinyl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide (PubChem CID 134135327) has the molecular formula C17H20N2O6S and a molecular weight of 380.42 g/mol. Its IUPAC name is (E)-N-(6-methoxy-3-pyridinyl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide.

Molecular Properties

Compound Name(E)-N-(6-methoxy-3-pyridinyl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide
PubChem CID134135327
Molecular FormulaC17H20N2O6S
Molecular Weight380.42 g/mol
Exact Mass380.10
IUPAC Name(E)-N-(6-methoxy-3-pyridinyl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide
SMILESCOc1cc(OC)c(/C=C/S(=O)(=O)Nc2ccc(OC)nc2)c(OC)c1
InChIInChI=1S/C17H20N2O6S/c1-22-13-9-15(23-2)14(16(10-13)24-3)7-8-26(20,21)19-12-5-6-17(25-4)18-11-12/h5-11,19H,1-4H3/b8-7+
InChIKeyADPJLUFVSWLEDG-BQYQJAHWSA-N
XLogP2.53
TPSA95.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(6-methoxy-3-pyridinyl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide?
The IUPAC name of (E)-N-(6-methoxy-3-pyridinyl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide (CID 134135327) is (E)-N-(6-methoxy-3-pyridinyl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide.
What is the SMILES notation for (E)-N-(6-methoxy-3-pyridinyl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide?
The canonical SMILES for (E)-N-(6-methoxy-3-pyridinyl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide is COc1cc(OC)c(/C=C/S(=O)(=O)Nc2ccc(OC)nc2)c(OC)c1.
What is the InChIKey of (E)-N-(6-methoxy-3-pyridinyl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide?
The InChIKey is ADPJLUFVSWLEDG-BQYQJAHWSA-N. The full InChI is InChI=1S/C17H20N2O6S/c1-22-13-9-15(23-2)14(16(10-13)24-3)7-8-26(20,21)19-12-5-6-17(25-4)18-11-12/h5-11,19H,1-4H3/b8-7+.
What are the key properties of (E)-N-(6-methoxy-3-pyridinyl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide?
(E)-N-(6-methoxy-3-pyridinyl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide has a molecular weight of 380.42 g/mol, XLogP of 2.53, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(6-methoxy-3-pyridinyl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide is sourced from PubChem (CID 134135327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).