N-[(2E,6E)-2,6-dimethylocta-2,6-dienyl]-4-methylbenzenesulfonamide

C17H25NO2S — CID 101397381

IUPACN-[(2E,6E)-2,6-dimethylocta-2,6-dienyl]-4-methylbenzenesulfonamide
SMILESC/C=C(\C)CC/C=C(\C)CNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H25NO2S/c1-5-14(2)7-6-8-16(4)13-18-21(19,20)17-11-9-15(3)10-12-17/h5,8-12,18H,6-7,13H2,1-4H3/b14-5+,16-8+
InChIKeySRKBYKSSLPKPNX-JQXFOXAESA-N
MW307.46 g/mol
LogP3.97
Rot. Bonds7

About N-[(2E,6E)-2,6-dimethylocta-2,6-dienyl]-4-methylbenzenesulfonamide

N-[(2E,6E)-2,6-dimethylocta-2,6-dienyl]-4-methylbenzenesulfonamide (PubChem CID 101397381) has the molecular formula C17H25NO2S and a molecular weight of 307.46 g/mol. Its IUPAC name is N-[(2E,6E)-2,6-dimethylocta-2,6-dienyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2E,6E)-2,6-dimethylocta-2,6-dienyl]-4-methylbenzenesulfonamide
PubChem CID101397381
Molecular FormulaC17H25NO2S
Molecular Weight307.46 g/mol
Exact Mass307.16
IUPAC NameN-[(2E,6E)-2,6-dimethylocta-2,6-dienyl]-4-methylbenzenesulfonamide
SMILESC/C=C(\C)CC/C=C(\C)CNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H25NO2S/c1-5-14(2)7-6-8-16(4)13-18-21(19,20)17-11-9-15(3)10-12-17/h5,8-12,18H,6-7,13H2,1-4H3/b14-5+,16-8+
InChIKeySRKBYKSSLPKPNX-JQXFOXAESA-N
XLogP3.97
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(2E,6E)-2,6-dimethylocta-2,6-dienyl]-4-methylbenzenesulfonamide with MolForge

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Related Compounds

N-(hydroxymethyl)-4-methylbenzenesulfonamide;methane
CID 161281270
N-[(E)-4-iodo-3-methylbut-2-enyl]-4-methylbenzenesulfonamide
CID 125499199
4-methyl-N-[(E)-4-[(4-methylphenyl)sulfonylamino]but-2-enyl]benzenesulfonamide
CID 10620659
N-(2-fluoroprop-2-enyl)-4-methylbenzenesulfonamide
CID 16723470
4-methyl-N-(2-methylocta-2,3-dienyl)benzenesulfonamide
CID 11119928
N-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-methoxybenzenesulfonamide
CID 162639468
4-methyl-N-[(Z)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-enyl]benzenesulfonamide
CID 102486955
4-methyl-N-(2-phenylselanylprop-2-enyl)benzenesulfonamide
CID 24951292
N-[(E)-hex-2-enyl]-4-methylbenzenesulfonamide
CID 13215821
[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] 4-methylbenzenesulfonate
CID 71736880
N-(4-fluorophenyl)-2-[(4-methylphenyl)sulfonylamino]acetamide
CID 894224
4-methyl-N-(4-methylhexa-2,3-dienyl)benzenesulfonamide
CID 11277092

Frequently Asked Questions

What is the IUPAC name of N-[(2E,6E)-2,6-dimethylocta-2,6-dienyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(2E,6E)-2,6-dimethylocta-2,6-dienyl]-4-methylbenzenesulfonamide (CID 101397381) is N-[(2E,6E)-2,6-dimethylocta-2,6-dienyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2E,6E)-2,6-dimethylocta-2,6-dienyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(2E,6E)-2,6-dimethylocta-2,6-dienyl]-4-methylbenzenesulfonamide is C/C=C(\C)CC/C=C(\C)CNS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[(2E,6E)-2,6-dimethylocta-2,6-dienyl]-4-methylbenzenesulfonamide?
The InChIKey is SRKBYKSSLPKPNX-JQXFOXAESA-N. The full InChI is InChI=1S/C17H25NO2S/c1-5-14(2)7-6-8-16(4)13-18-21(19,20)17-11-9-15(3)10-12-17/h5,8-12,18H,6-7,13H2,1-4H3/b14-5+,16-8+.
What are the key properties of N-[(2E,6E)-2,6-dimethylocta-2,6-dienyl]-4-methylbenzenesulfonamide?
N-[(2E,6E)-2,6-dimethylocta-2,6-dienyl]-4-methylbenzenesulfonamide has a molecular weight of 307.46 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,6E)-2,6-dimethylocta-2,6-dienyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 101397381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).