N-[(Z)-8-hydroxyoct-2-en-6-ynyl]-4-methylbenzenesulfonamide

C15H19NO3S — CID 122390713

IUPACN-[(Z)-8-hydroxyoct-2-en-6-ynyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC/C=C\CCC#CCO)cc1
InChIInChI=1S/C15H19NO3S/c1-14-8-10-15(11-9-14)20(18,19)16-12-6-4-2-3-5-7-13-17/h4,6,8-11,16-17H,2-3,12-13H2,1H3/b6-4-
InChIKeyXGFALGBIWSBDPJ-XQRVVYSFSA-N
MW293.39 g/mol
LogP1.61
Rot. Bonds6

About N-[(Z)-8-hydroxyoct-2-en-6-ynyl]-4-methylbenzenesulfonamide

N-[(Z)-8-hydroxyoct-2-en-6-ynyl]-4-methylbenzenesulfonamide (PubChem CID 122390713) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-[(Z)-8-hydroxyoct-2-en-6-ynyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-8-hydroxyoct-2-en-6-ynyl]-4-methylbenzenesulfonamide
PubChem CID122390713
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC NameN-[(Z)-8-hydroxyoct-2-en-6-ynyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC/C=C\CCC#CCO)cc1
InChIInChI=1S/C15H19NO3S/c1-14-8-10-15(11-9-14)20(18,19)16-12-6-4-2-3-5-7-13-17/h4,6,8-11,16-17H,2-3,12-13H2,1H3/b6-4-
InChIKeyXGFALGBIWSBDPJ-XQRVVYSFSA-N
XLogP1.61
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[(E)-4-[(4-methylphenyl)sulfonylamino]but-2-enyl]benzenesulfonamide
CID 10620659
N-[(E)-hex-2-enyl]-4-methylbenzenesulfonamide
CID 13215821
4-methyl-N-[6-[(4-methylphenyl)sulfonylamino]hex-3-ynyl]benzenesulfonamide
CID 100943896
N-(hydroxymethyl)-4-methylbenzenesulfonamide;methane
CID 161281270
4-methyl-N-[(2Z,4E)-5-phenylpenta-2,4-dienyl]benzenesulfonamide
CID 10519274
N-[(E)-5-chloropent-3-enyl]-4-methylbenzenesulfonamide
CID 14242416
N-[(E)-3-(4-chlorophenyl)prop-2-enyl]-4-methylbenzenesulfonamide
CID 24755429
4-methyl-N-(4-methylhexa-2,3-dienyl)benzenesulfonamide
CID 11277092
benzyl (2E,4Z)-6-[(4-methylphenyl)sulfonylamino]hexa-2,4-dienoate
CID 71659657
N-[(E)-4-iodo-3-methylbut-2-enyl]-4-methylbenzenesulfonamide
CID 125499199
N-(3-cyclohexylideneprop-2-enyl)-4-methylbenzenesulfonamide
CID 11130078
N-(bromomethyl)-4-methylbenzenesulfonamide
CID 20609777

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-8-hydroxyoct-2-en-6-ynyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(Z)-8-hydroxyoct-2-en-6-ynyl]-4-methylbenzenesulfonamide (CID 122390713) is N-[(Z)-8-hydroxyoct-2-en-6-ynyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(Z)-8-hydroxyoct-2-en-6-ynyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(Z)-8-hydroxyoct-2-en-6-ynyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC/C=C\CCC#CCO)cc1.
What is the InChIKey of N-[(Z)-8-hydroxyoct-2-en-6-ynyl]-4-methylbenzenesulfonamide?
The InChIKey is XGFALGBIWSBDPJ-XQRVVYSFSA-N. The full InChI is InChI=1S/C15H19NO3S/c1-14-8-10-15(11-9-14)20(18,19)16-12-6-4-2-3-5-7-13-17/h4,6,8-11,16-17H,2-3,12-13H2,1H3/b6-4-.
What are the key properties of N-[(Z)-8-hydroxyoct-2-en-6-ynyl]-4-methylbenzenesulfonamide?
N-[(Z)-8-hydroxyoct-2-en-6-ynyl]-4-methylbenzenesulfonamide has a molecular weight of 293.39 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-8-hydroxyoct-2-en-6-ynyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 122390713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).