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

C13H17NO2S — CID 10634515

IUPACN-[(2E,4E)-hexa-2,4-dienyl]-4-methylbenzenesulfonamide
SMILESC/C=C/C=C/CNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C13H17NO2S/c1-3-4-5-6-11-14-17(15,16)13-9-7-12(2)8-10-13/h3-10,14H,11H2,1-2H3/b4-3+,6-5+
InChIKeyZGEQTUPIMSKVDY-VNKDHWASSA-N
MW251.35 g/mol
LogP2.41
Rot. Bonds5

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

N-[(2E,4E)-hexa-2,4-dienyl]-4-methylbenzenesulfonamide (PubChem CID 10634515) has the molecular formula C13H17NO2S and a molecular weight of 251.35 g/mol. Its IUPAC name is N-[(2E,4E)-hexa-2,4-dienyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2E,4E)-hexa-2,4-dienyl]-4-methylbenzenesulfonamide
PubChem CID10634515
Molecular FormulaC13H17NO2S
Molecular Weight251.35 g/mol
Exact Mass251.10
IUPAC NameN-[(2E,4E)-hexa-2,4-dienyl]-4-methylbenzenesulfonamide
SMILESC/C=C/C=C/CNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C13H17NO2S/c1-3-4-5-6-11-14-17(15,16)13-9-7-12(2)8-10-13/h3-10,14H,11H2,1-2H3/b4-3+,6-5+
InChIKeyZGEQTUPIMSKVDY-VNKDHWASSA-N
XLogP2.41
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2E,4E)-hexa-2,4-dienyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(2E,4E)-hexa-2,4-dienyl]-4-methylbenzenesulfonamide (CID 10634515) is N-[(2E,4E)-hexa-2,4-dienyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2E,4E)-hexa-2,4-dienyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(2E,4E)-hexa-2,4-dienyl]-4-methylbenzenesulfonamide is C/C=C/C=C/CNS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[(2E,4E)-hexa-2,4-dienyl]-4-methylbenzenesulfonamide?
The InChIKey is ZGEQTUPIMSKVDY-VNKDHWASSA-N. The full InChI is InChI=1S/C13H17NO2S/c1-3-4-5-6-11-14-17(15,16)13-9-7-12(2)8-10-13/h3-10,14H,11H2,1-2H3/b4-3+,6-5+.
What are the key properties of N-[(2E,4E)-hexa-2,4-dienyl]-4-methylbenzenesulfonamide?
N-[(2E,4E)-hexa-2,4-dienyl]-4-methylbenzenesulfonamide has a molecular weight of 251.35 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4E)-hexa-2,4-dienyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 10634515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).