4-methyl-N-(2-methylocta-2,3-dienyl)benzenesulfonamide

C16H23NO2S — CID 11119928

IUPAC4-methyl-N-(2-methylocta-2,3-dienyl)benzenesulfonamide
SMILESCCCCC=C=C(C)CNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H23NO2S/c1-4-5-6-7-8-15(3)13-17-20(18,19)16-11-9-14(2)10-12-16/h7,9-12,17H,4-6,13H2,1-3H3
InChIKeyRYPKMMABYYBPQA-UHFFFAOYSA-N
MW293.43 g/mol
LogP3.56
Rot. Bonds7

About 4-methyl-N-(2-methylocta-2,3-dienyl)benzenesulfonamide

4-methyl-N-(2-methylocta-2,3-dienyl)benzenesulfonamide (PubChem CID 11119928) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is 4-methyl-N-(2-methylocta-2,3-dienyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(2-methylocta-2,3-dienyl)benzenesulfonamide
PubChem CID11119928
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC Name4-methyl-N-(2-methylocta-2,3-dienyl)benzenesulfonamide
SMILESCCCCC=C=C(C)CNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H23NO2S/c1-4-5-6-7-8-15(3)13-17-20(18,19)16-11-9-14(2)10-12-16/h7,9-12,17H,4-6,13H2,1-3H3
InChIKeyRYPKMMABYYBPQA-UHFFFAOYSA-N
XLogP3.56
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-(4-methylhexa-2,3-dienyl)benzenesulfonamide
CID 11277092
4-methyl-N-(2-methylnona-3,4-dienyl)benzenesulfonamide
CID 86098497
N-(hydroxymethyl)-4-methylbenzenesulfonamide;methane
CID 161281270
4-chloro-N-(4-chloro-2-methylbuta-2,3-dienyl)benzenesulfonamide
CID 13215440
N-[(2E,6E)-2,6-dimethylocta-2,6-dienyl]-4-methylbenzenesulfonamide
CID 101397381
N-(2-fluoroprop-2-enyl)-4-methylbenzenesulfonamide
CID 16723470
N-[(E)-hex-2-enyl]-4-methylbenzenesulfonamide
CID 13215821
N-[(2R)-2-hydroxyhexyl]-4-methylbenzenesulfonamide
CID 135005405
4-methyl-N-(4-methylhexa-4,5-dienyl)benzenesulfonamide
CID 102287422
N-(4-methylphenyl)sulfonyloctanamide
CID 13094109
ethyl (Z)-3-(4-methylphenyl)-2-[[(4-methylphenyl)sulfonylamino]methyl]prop-2-enoate
CID 12034641
4-methyl-N-[10-[(4-methylphenyl)sulfonylamino]decyl]benzenesulfonamide
CID 12715316

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methylocta-2,3-dienyl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(2-methylocta-2,3-dienyl)benzenesulfonamide (CID 11119928) is 4-methyl-N-(2-methylocta-2,3-dienyl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(2-methylocta-2,3-dienyl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(2-methylocta-2,3-dienyl)benzenesulfonamide is CCCCC=C=C(C)CNS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-(2-methylocta-2,3-dienyl)benzenesulfonamide?
The InChIKey is RYPKMMABYYBPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2S/c1-4-5-6-7-8-15(3)13-17-20(18,19)16-11-9-14(2)10-12-16/h7,9-12,17H,4-6,13H2,1-3H3.
What are the key properties of 4-methyl-N-(2-methylocta-2,3-dienyl)benzenesulfonamide?
4-methyl-N-(2-methylocta-2,3-dienyl)benzenesulfonamide has a molecular weight of 293.43 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methylocta-2,3-dienyl)benzenesulfonamide is sourced from PubChem (CID 11119928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).