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

C18H20N2O8S — CID 67318854

IUPAC(E)-N-(4-methoxy-3-nitrophenyl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide
SMILESCOc1cc(OC)c(/C=C/S(=O)(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)c(OC)c1
InChIInChI=1S/C18H20N2O8S/c1-25-13-10-17(27-3)14(18(11-13)28-4)7-8-29(23,24)19-12-5-6-16(26-2)15(9-12)20(21)22/h5-11,19H,1-4H3/b8-7+
InChIKeyZIPLYDKKQIIAAM-BQYQJAHWSA-N
MW424.43 g/mol
LogP3.04
Rot. Bonds9

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

(E)-N-(4-methoxy-3-nitrophenyl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide (PubChem CID 67318854) has the molecular formula C18H20N2O8S and a molecular weight of 424.43 g/mol. Its IUPAC name is (E)-N-(4-methoxy-3-nitrophenyl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide.

Molecular Properties

Compound Name(E)-N-(4-methoxy-3-nitrophenyl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide
PubChem CID67318854
Molecular FormulaC18H20N2O8S
Molecular Weight424.43 g/mol
Exact Mass424.09
IUPAC Name(E)-N-(4-methoxy-3-nitrophenyl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide
SMILESCOc1cc(OC)c(/C=C/S(=O)(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)c(OC)c1
InChIInChI=1S/C18H20N2O8S/c1-25-13-10-17(27-3)14(18(11-13)28-4)7-8-29(23,24)19-12-5-6-16(26-2)15(9-12)20(21)22/h5-11,19H,1-4H3/b8-7+
InChIKeyZIPLYDKKQIIAAM-BQYQJAHWSA-N
XLogP3.04
TPSA126.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.43
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-methoxy-3-nitrophenyl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide?
The IUPAC name of (E)-N-(4-methoxy-3-nitrophenyl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide (CID 67318854) is (E)-N-(4-methoxy-3-nitrophenyl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide.
What is the SMILES notation for (E)-N-(4-methoxy-3-nitrophenyl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide?
The canonical SMILES for (E)-N-(4-methoxy-3-nitrophenyl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide is COc1cc(OC)c(/C=C/S(=O)(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)c(OC)c1.
What is the InChIKey of (E)-N-(4-methoxy-3-nitrophenyl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide?
The InChIKey is ZIPLYDKKQIIAAM-BQYQJAHWSA-N. The full InChI is InChI=1S/C18H20N2O8S/c1-25-13-10-17(27-3)14(18(11-13)28-4)7-8-29(23,24)19-12-5-6-16(26-2)15(9-12)20(21)22/h5-11,19H,1-4H3/b8-7+.
What are the key properties of (E)-N-(4-methoxy-3-nitrophenyl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide?
(E)-N-(4-methoxy-3-nitrophenyl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide has a molecular weight of 424.43 g/mol, XLogP of 3.04, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-methoxy-3-nitrophenyl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide is sourced from PubChem (CID 67318854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).