4-[(E)-2-[3,4-bis(methoxymethoxy)phenyl]ethenyl]benzenesulfonamide

C18H21NO6S — CID 68976551

IUPAC4-[(E)-2-[3,4-bis(methoxymethoxy)phenyl]ethenyl]benzenesulfonamide
SMILESCOCOc1ccc(/C=C/c2ccc(S(N)(=O)=O)cc2)cc1OCOC
InChIInChI=1S/C18H21NO6S/c1-22-12-24-17-10-7-15(11-18(17)25-13-23-2)4-3-14-5-8-16(9-6-14)26(19,20)21/h3-11H,12-13H2,1-2H3,(H2,19,20,21)/b4-3+
InChIKeyIJUFJEBLKXMZAH-ONEGZZNKSA-N
MW379.43 g/mol
LogP2.47
Rot. Bonds9

About 4-[(E)-2-[3,4-bis(methoxymethoxy)phenyl]ethenyl]benzenesulfonamide

4-[(E)-2-[3,4-bis(methoxymethoxy)phenyl]ethenyl]benzenesulfonamide (PubChem CID 68976551) has the molecular formula C18H21NO6S and a molecular weight of 379.43 g/mol. Its IUPAC name is 4-[(E)-2-[3,4-bis(methoxymethoxy)phenyl]ethenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(E)-2-[3,4-bis(methoxymethoxy)phenyl]ethenyl]benzenesulfonamide
PubChem CID68976551
Molecular FormulaC18H21NO6S
Molecular Weight379.43 g/mol
Exact Mass379.11
IUPAC Name4-[(E)-2-[3,4-bis(methoxymethoxy)phenyl]ethenyl]benzenesulfonamide
SMILESCOCOc1ccc(/C=C/c2ccc(S(N)(=O)=O)cc2)cc1OCOC
InChIInChI=1S/C18H21NO6S/c1-22-12-24-17-10-7-15(11-18(17)25-13-23-2)4-3-14-5-8-16(9-6-14)26(19,20)21/h3-11H,12-13H2,1-2H3,(H2,19,20,21)/b4-3+
InChIKeyIJUFJEBLKXMZAH-ONEGZZNKSA-N
XLogP2.47
TPSA97.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-2-(methoxymethoxy)-4-[(E)-2-[4-[(E)-2-[4-methoxy-3-(methoxymethoxy)phenyl]ethenyl]phenyl]ethenyl]benzene
CID 11730255
2-[4-[2-[3,4-bis(methoxymethoxy)phenyl]ethenyl]phenyl]acetamide
CID 90856781
1,2-bis(methoxymethoxy)-4-[(E)-prop-1-enyl]benzene
CID 58923294
1,2-bis(methoxymethoxy)-4-[(1E,3E)-4-(4-nitrophenyl)buta-1,3-dienyl]benzene
CID 87641751
3,4-bis(methoxymethoxy)benzaldehyde
CID 11746314
methyl 4-[4-[3,4-bis(methoxymethoxy)phenyl]buta-1,3-dienyl]benzoate
CID 91216222
4-ethenyl-1,2-bis(methoxymethoxy)benzene
CID 57430947
3,4-bis[2-[3,4-bis(methoxymethoxy)phenyl]ethenyl]benzoic acid
CID 142209148
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide
CID 9314320
[(2E)-3,7-dimethylocta-2,7-dienyl] 4-[(E)-2-[3,4-bis(methoxymethoxy)phenyl]ethenyl]benzoate
CID 57430933
(E)-3-(4-butoxy-3-ethoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 2071589
4-ethenyl-2-methoxy-1-(methoxymethoxy)benzene
CID 59623316

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[3,4-bis(methoxymethoxy)phenyl]ethenyl]benzenesulfonamide?
The IUPAC name of 4-[(E)-2-[3,4-bis(methoxymethoxy)phenyl]ethenyl]benzenesulfonamide (CID 68976551) is 4-[(E)-2-[3,4-bis(methoxymethoxy)phenyl]ethenyl]benzenesulfonamide.
What is the SMILES notation for 4-[(E)-2-[3,4-bis(methoxymethoxy)phenyl]ethenyl]benzenesulfonamide?
The canonical SMILES for 4-[(E)-2-[3,4-bis(methoxymethoxy)phenyl]ethenyl]benzenesulfonamide is COCOc1ccc(/C=C/c2ccc(S(N)(=O)=O)cc2)cc1OCOC.
What is the InChIKey of 4-[(E)-2-[3,4-bis(methoxymethoxy)phenyl]ethenyl]benzenesulfonamide?
The InChIKey is IJUFJEBLKXMZAH-ONEGZZNKSA-N. The full InChI is InChI=1S/C18H21NO6S/c1-22-12-24-17-10-7-15(11-18(17)25-13-23-2)4-3-14-5-8-16(9-6-14)26(19,20)21/h3-11H,12-13H2,1-2H3,(H2,19,20,21)/b4-3+.
What are the key properties of 4-[(E)-2-[3,4-bis(methoxymethoxy)phenyl]ethenyl]benzenesulfonamide?
4-[(E)-2-[3,4-bis(methoxymethoxy)phenyl]ethenyl]benzenesulfonamide has a molecular weight of 379.43 g/mol, XLogP of 2.47, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[3,4-bis(methoxymethoxy)phenyl]ethenyl]benzenesulfonamide is sourced from PubChem (CID 68976551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).