N-[(E)-but-2-enyl]-N-[(2E,4E)-hexa-2,4-dienyl]-4-methylbenzenesulfonamide

C17H23NO2S — CID 101256221

IUPACN-[(E)-but-2-enyl]-N-[(2E,4E)-hexa-2,4-dienyl]-4-methylbenzenesulfonamide
SMILESC/C=C/C=C/CN(C/C=C/C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H23NO2S/c1-4-6-8-9-15-18(14-7-5-2)21(19,20)17-12-10-16(3)11-13-17/h4-13H,14-15H2,1-3H3/b6-4+,7-5+,9-8+
InChIKeyXQRQAWPDLUVKLI-SFYXYOTASA-N
MW305.44 g/mol
LogP3.69
Rot. Bonds7

About N-[(E)-but-2-enyl]-N-[(2E,4E)-hexa-2,4-dienyl]-4-methylbenzenesulfonamide

N-[(E)-but-2-enyl]-N-[(2E,4E)-hexa-2,4-dienyl]-4-methylbenzenesulfonamide (PubChem CID 101256221) has the molecular formula C17H23NO2S and a molecular weight of 305.44 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]-N-[(2E,4E)-hexa-2,4-dienyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]-N-[(2E,4E)-hexa-2,4-dienyl]-4-methylbenzenesulfonamide
PubChem CID101256221
Molecular FormulaC17H23NO2S
Molecular Weight305.44 g/mol
Exact Mass305.14
IUPAC NameN-[(E)-but-2-enyl]-N-[(2E,4E)-hexa-2,4-dienyl]-4-methylbenzenesulfonamide
SMILESC/C=C/C=C/CN(C/C=C/C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H23NO2S/c1-4-6-8-9-15-18(14-7-5-2)21(19,20)17-12-10-16(3)11-13-17/h4-13H,14-15H2,1-3H3/b6-4+,7-5+,9-8+
InChIKeyXQRQAWPDLUVKLI-SFYXYOTASA-N
XLogP3.69
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-but-2-enyl]-N-(3-hydroxypropyl)-4-methylbenzenesulfonamide
CID 11608901
2-[but-2-enyl-(4-methylphenyl)sulfonylamino]-N-hydroxyacetamide
CID 142683254
4-methyl-N-(4-methylpenta-2,3-dienyl)-N-[(2Z)-penta-2,4-dienyl]benzenesulfonamide
CID 102417724
4-methyl-N-[(E)-pent-2-en-4-ynyl]-N-prop-2-enylbenzenesulfonamide
CID 102262070
N-[(E)-but-2-enyl]-N-[4-(4-chlorophenyl)-4-hydroxybut-2-ynyl]-4-methylbenzenesulfonamide
CID 102160955
4-methyl-N,N-bis(sulfanylmethyl)benzenesulfonamide
CID 122393288
N-ethyl-4-methyl-N-propylbenzenesulfonamide
CID 91734520
4-methyl-N-[(E)-3-phenylprop-2-enyl]-N-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enyl]benzenesulfonamide
CID 101398637
4-methyl-N-(4-methylpenta-2,3-dienyl)-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide
CID 46188827
N,N-bis(3-chloropropyl)-4-methylbenzenesulfonamide
CID 11012755
4-methyl-N-[(2E)-4-methylpenta-2,4-dienyl]-N-(4-methylpenta-2,3-dienyl)benzenesulfonamide
CID 11681501
N-but-2-ynyl-N-[(Z)-4-hydroxybut-2-enyl]-4-methylbenzenesulfonamide
CID 135020225

Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-enyl]-N-[(2E,4E)-hexa-2,4-dienyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(E)-but-2-enyl]-N-[(2E,4E)-hexa-2,4-dienyl]-4-methylbenzenesulfonamide (CID 101256221) is N-[(E)-but-2-enyl]-N-[(2E,4E)-hexa-2,4-dienyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(E)-but-2-enyl]-N-[(2E,4E)-hexa-2,4-dienyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(E)-but-2-enyl]-N-[(2E,4E)-hexa-2,4-dienyl]-4-methylbenzenesulfonamide is C/C=C/C=C/CN(C/C=C/C)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[(E)-but-2-enyl]-N-[(2E,4E)-hexa-2,4-dienyl]-4-methylbenzenesulfonamide?
The InChIKey is XQRQAWPDLUVKLI-SFYXYOTASA-N. The full InChI is InChI=1S/C17H23NO2S/c1-4-6-8-9-15-18(14-7-5-2)21(19,20)17-12-10-16(3)11-13-17/h4-13H,14-15H2,1-3H3/b6-4+,7-5+,9-8+.
What are the key properties of N-[(E)-but-2-enyl]-N-[(2E,4E)-hexa-2,4-dienyl]-4-methylbenzenesulfonamide?
N-[(E)-but-2-enyl]-N-[(2E,4E)-hexa-2,4-dienyl]-4-methylbenzenesulfonamide has a molecular weight of 305.44 g/mol, XLogP of 3.69, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-enyl]-N-[(2E,4E)-hexa-2,4-dienyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 101256221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).