4-[[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]sulfonylamino]benzamide

C15H18N2O3S — CID 137404039

IUPAC4-[[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]sulfonylamino]benzamide
SMILESC/C=C\C=C(/C=C\C)S(=O)(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C15H18N2O3S/c1-3-5-7-14(6-4-2)21(19,20)17-13-10-8-12(9-11-13)15(16)18/h3-11,17H,1-2H3,(H2,16,18)/b5-3-,6-4-,14-7+
InChIKeyIIUJDNLFRBYKQQ-XAFXJDKQSA-N
MW306.39 g/mol
LogP2.56
Rot. Bonds6

About 4-[[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]sulfonylamino]benzamide

4-[[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]sulfonylamino]benzamide (PubChem CID 137404039) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 4-[[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]sulfonylamino]benzamide.

Molecular Properties

Compound Name4-[[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]sulfonylamino]benzamide
PubChem CID137404039
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name4-[[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]sulfonylamino]benzamide
SMILESC/C=C\C=C(/C=C\C)S(=O)(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C15H18N2O3S/c1-3-5-7-14(6-4-2)21(19,20)17-13-10-8-12(9-11-13)15(16)18/h3-11,17H,1-2H3,(H2,16,18)/b5-3-,6-4-,14-7+
InChIKeyIIUJDNLFRBYKQQ-XAFXJDKQSA-N
XLogP2.56
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]sulfonylamino]benzamide with MolForge

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Related Compounds

4-[(4-methylphenyl)sulfonylamino]benzamide
CID 837332
[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]sulfonylbenzene
CID 138738643
[1-(4-carbamoylanilino)-1-oxopropan-2-yl] (E)-but-2-enoate
CID 24652408
4-[(4-methylphenyl)methylsulfonylamino]benzamide
CID 110756530
2-[(4-carbamoylphenyl)sulfamoyl-methylamino]acetic acid
CID 84760757
4-[(2-chloropyrimidin-5-yl)sulfonylamino]benzamide
CID 43456434
4-[(4-chlorophenyl)sulfamoyl]benzamide
CID 27187051
4-[(4-fluorophenyl)sulfamoyl]benzamide
CID 2098781
4-[(3-amino-1-methylpyrazol-4-yl)sulfonylamino]benzamide
CID 60809576
4-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]sulfonylbenzene-1,4-dicarboxamide
CID 155183718
4-[(2,6-difluorophenyl)sulfonylamino]benzamide
CID 4880807
4-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylamino]benzamide
CID 105358140

Frequently Asked Questions

What is the IUPAC name of 4-[[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]sulfonylamino]benzamide?
The IUPAC name of 4-[[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]sulfonylamino]benzamide (CID 137404039) is 4-[[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]sulfonylamino]benzamide.
What is the SMILES notation for 4-[[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]sulfonylamino]benzamide?
The canonical SMILES for 4-[[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]sulfonylamino]benzamide is C/C=C\C=C(/C=C\C)S(=O)(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]sulfonylamino]benzamide?
The InChIKey is IIUJDNLFRBYKQQ-XAFXJDKQSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-3-5-7-14(6-4-2)21(19,20)17-13-10-8-12(9-11-13)15(16)18/h3-11,17H,1-2H3,(H2,16,18)/b5-3-,6-4-,14-7+.
What are the key properties of 4-[[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]sulfonylamino]benzamide?
4-[[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]sulfonylamino]benzamide has a molecular weight of 306.39 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]sulfonylamino]benzamide is sourced from PubChem (CID 137404039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).