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

C18H22N2O6S — CID 10309597

IUPAC(E)-N-(3-amino-4-methoxyphenyl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide
SMILESCOc1cc(OC)c(/C=C/S(=O)(=O)Nc2ccc(OC)c(N)c2)c(OC)c1
InChIInChI=1S/C18H22N2O6S/c1-23-13-10-17(25-3)14(18(11-13)26-4)7-8-27(21,22)20-12-5-6-16(24-2)15(19)9-12/h5-11,20H,19H2,1-4H3/b8-7+
InChIKeyOLRRWEXEHIWZJV-BQYQJAHWSA-N
MW394.45 g/mol
LogP2.72
Rot. Bonds8

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

(E)-N-(3-amino-4-methoxyphenyl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide (PubChem CID 10309597) has the molecular formula C18H22N2O6S and a molecular weight of 394.45 g/mol. Its IUPAC name is (E)-N-(3-amino-4-methoxyphenyl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide.

Molecular Properties

Compound Name(E)-N-(3-amino-4-methoxyphenyl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide
PubChem CID10309597
Molecular FormulaC18H22N2O6S
Molecular Weight394.45 g/mol
Exact Mass394.12
IUPAC Name(E)-N-(3-amino-4-methoxyphenyl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide
SMILESCOc1cc(OC)c(/C=C/S(=O)(=O)Nc2ccc(OC)c(N)c2)c(OC)c1
InChIInChI=1S/C18H22N2O6S/c1-23-13-10-17(25-3)14(18(11-13)26-4)7-8-27(21,22)20-12-5-6-16(24-2)15(19)9-12/h5-11,20H,19H2,1-4H3/b8-7+
InChIKeyOLRRWEXEHIWZJV-BQYQJAHWSA-N
XLogP2.72
TPSA109.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-amino-4-methoxyphenyl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide?
The IUPAC name of (E)-N-(3-amino-4-methoxyphenyl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide (CID 10309597) is (E)-N-(3-amino-4-methoxyphenyl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide.
What is the SMILES notation for (E)-N-(3-amino-4-methoxyphenyl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide?
The canonical SMILES for (E)-N-(3-amino-4-methoxyphenyl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide is COc1cc(OC)c(/C=C/S(=O)(=O)Nc2ccc(OC)c(N)c2)c(OC)c1.
What is the InChIKey of (E)-N-(3-amino-4-methoxyphenyl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide?
The InChIKey is OLRRWEXEHIWZJV-BQYQJAHWSA-N. The full InChI is InChI=1S/C18H22N2O6S/c1-23-13-10-17(25-3)14(18(11-13)26-4)7-8-27(21,22)20-12-5-6-16(24-2)15(19)9-12/h5-11,20H,19H2,1-4H3/b8-7+.
What are the key properties of (E)-N-(3-amino-4-methoxyphenyl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide?
(E)-N-(3-amino-4-methoxyphenyl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide has a molecular weight of 394.45 g/mol, XLogP of 2.72, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-amino-4-methoxyphenyl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide is sourced from PubChem (CID 10309597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).