4-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]sulfonylbenzene-1,4-dicarboxamide

C15H16N2O4S — CID 155183718

IUPAC4-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]sulfonylbenzene-1,4-dicarboxamide
SMILESC=C/C=C\C(=C/C)S(=O)(=O)NC(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C15H16N2O4S/c1-3-5-6-13(4-2)22(20,21)17-15(19)12-9-7-11(8-10-12)14(16)18/h3-10H,1H2,2H3,(H2,16,18)(H,17,19)/b6-5-,13-4+
InChIKeySUBAEOFNMKQFQZ-BDNXDWBHSA-N
MW320.37 g/mol
LogP1.49
Rot. Bonds6

About 4-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]sulfonylbenzene-1,4-dicarboxamide

4-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]sulfonylbenzene-1,4-dicarboxamide (PubChem CID 155183718) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is 4-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]sulfonylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]sulfonylbenzene-1,4-dicarboxamide
PubChem CID155183718
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC Name4-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]sulfonylbenzene-1,4-dicarboxamide
SMILESC=C/C=C\C(=C/C)S(=O)(=O)NC(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C15H16N2O4S/c1-3-5-6-13(4-2)22(20,21)17-15(19)12-9-7-11(8-10-12)14(16)18/h3-10H,1H2,2H3,(H2,16,18)(H,17,19)/b6-5-,13-4+
InChIKeySUBAEOFNMKQFQZ-BDNXDWBHSA-N
XLogP1.49
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]sulfonylbenzene-1,4-dicarboxamide?
The IUPAC name of 4-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]sulfonylbenzene-1,4-dicarboxamide (CID 155183718) is 4-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]sulfonylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]sulfonylbenzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]sulfonylbenzene-1,4-dicarboxamide is C=C/C=C\C(=C/C)S(=O)(=O)NC(=O)c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]sulfonylbenzene-1,4-dicarboxamide?
The InChIKey is SUBAEOFNMKQFQZ-BDNXDWBHSA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-3-5-6-13(4-2)22(20,21)17-15(19)12-9-7-11(8-10-12)14(16)18/h3-10H,1H2,2H3,(H2,16,18)(H,17,19)/b6-5-,13-4+.
What are the key properties of 4-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]sulfonylbenzene-1,4-dicarboxamide?
4-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]sulfonylbenzene-1,4-dicarboxamide has a molecular weight of 320.37 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]sulfonylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 155183718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).