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

C17H25NO2S — CID 86098497

IUPAC4-methyl-N-(2-methylnona-3,4-dienyl)benzenesulfonamide
SMILESCCCCC=C=CC(C)CNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H25NO2S/c1-4-5-6-7-8-9-16(3)14-18-21(19,20)17-12-10-15(2)11-13-17/h7,9-13,16,18H,4-6,14H2,1-3H3
InChIKeySSIULABKUMWDTN-UHFFFAOYSA-N
MW307.46 g/mol
LogP3.81
Rot. Bonds8

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

4-methyl-N-(2-methylnona-3,4-dienyl)benzenesulfonamide (PubChem CID 86098497) has the molecular formula C17H25NO2S and a molecular weight of 307.46 g/mol. Its IUPAC name is 4-methyl-N-(2-methylnona-3,4-dienyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(2-methylnona-3,4-dienyl)benzenesulfonamide
PubChem CID86098497
Molecular FormulaC17H25NO2S
Molecular Weight307.46 g/mol
Exact Mass307.16
IUPAC Name4-methyl-N-(2-methylnona-3,4-dienyl)benzenesulfonamide
SMILESCCCCC=C=CC(C)CNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H25NO2S/c1-4-5-6-7-8-9-16(3)14-18-21(19,20)17-12-10-15(2)11-13-17/h7,9-13,16,18H,4-6,14H2,1-3H3
InChIKeySSIULABKUMWDTN-UHFFFAOYSA-N
XLogP3.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 53.81
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-(2-methylocta-2,3-dienyl)benzenesulfonamide
CID 11119928
N-[(2R)-2-hydroxyhexyl]-4-methylbenzenesulfonamide
CID 135005405
4-methyl-N-[(3Z,5Z)-2-methylocta-3,5-dienyl]benzenesulfonamide
CID 170102517
4-(4-methylphenyl)-N-(2-methylpropyl)benzenesulfonamide
CID 70038697
4-methyl-N-[(2R)-2-[(4-methylphenyl)sulfonylamino]octyl]benzenesulfonamide
CID 101389381
N-(2-azidohexyl)-4-methylbenzenesulfonamide
CID 11266449
N-[2,2-bis[(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 175193129
N-[(E)-hex-2-enyl]-4-methylbenzenesulfonamide
CID 13215821
1-[(4-methylphenyl)sulfonylamino]hexan-2-yl acetate
CID 101158794
N-(2-bromo-2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 141352763
N-(4-amino-2-methylbutyl)-4-methylbenzenesulfonamide
CID 66092322
(NE)-4-methyl-N-pentylidenebenzenesulfonamide
CID 10911631

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methylnona-3,4-dienyl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(2-methylnona-3,4-dienyl)benzenesulfonamide (CID 86098497) is 4-methyl-N-(2-methylnona-3,4-dienyl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(2-methylnona-3,4-dienyl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(2-methylnona-3,4-dienyl)benzenesulfonamide is CCCCC=C=CC(C)CNS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-(2-methylnona-3,4-dienyl)benzenesulfonamide?
The InChIKey is SSIULABKUMWDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2S/c1-4-5-6-7-8-9-16(3)14-18-21(19,20)17-12-10-15(2)11-13-17/h7,9-13,16,18H,4-6,14H2,1-3H3.
What are the key properties of 4-methyl-N-(2-methylnona-3,4-dienyl)benzenesulfonamide?
4-methyl-N-(2-methylnona-3,4-dienyl)benzenesulfonamide has a molecular weight of 307.46 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methylnona-3,4-dienyl)benzenesulfonamide is sourced from PubChem (CID 86098497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).