4-methyl-N-nona-1,8-dien-5-ylbenzenesulfonamide

C16H23NO2S — CID 25016898

IUPAC4-methyl-N-nona-1,8-dien-5-ylbenzenesulfonamide
SMILESC=CCCC(CCC=C)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H23NO2S/c1-4-6-8-15(9-7-5-2)17-20(18,19)16-12-10-14(3)11-13-16/h4-5,10-13,15,17H,1-2,6-9H2,3H3
InChIKeyHYFGTVLGHIOYDS-UHFFFAOYSA-N
MW293.43 g/mol
LogP3.57
Rot. Bonds9

About 4-methyl-N-nona-1,8-dien-5-ylbenzenesulfonamide

4-methyl-N-nona-1,8-dien-5-ylbenzenesulfonamide (PubChem CID 25016898) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is 4-methyl-N-nona-1,8-dien-5-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-nona-1,8-dien-5-ylbenzenesulfonamide
PubChem CID25016898
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC Name4-methyl-N-nona-1,8-dien-5-ylbenzenesulfonamide
SMILESC=CCCC(CCC=C)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H23NO2S/c1-4-6-8-15(9-7-5-2)17-20(18,19)16-12-10-14(3)11-13-16/h4-5,10-13,15,17H,1-2,6-9H2,3H3
InChIKeyHYFGTVLGHIOYDS-UHFFFAOYSA-N
XLogP3.57
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[(5R)-non-1-en-5-yl]benzenesulfonamide
CID 42632338
N-[(2S)-hex-5-en-2-yl]-4-methylbenzenesulfonamide
CID 102308151
N-[1-(4-chlorophenyl)pent-4-enyl]-4-methylbenzenesulfonamide
CID 25019219
N-dec-1-en-4-yl-4-methylbenzenesulfonamide
CID 11174340
N-(1-chlorohex-5-en-2-yl)benzenesulfonamide
CID 71390492
4-methyl-N-[(2S)-1-phenylpent-4-en-2-yl]benzenesulfonamide
CID 45102183
(2R)-N-methoxy-N-methyl-2-[(1S)-1-[(4-methylphenyl)sulfonylamino]prop-2-enyl]hex-5-enamide
CID 46704155
4-methyl-N-octan-3-ylbenzenesulfonamide
CID 11822147
4-methyl-N-(1-trimethoxysilylbut-3-enyl)benzenesulfonamide
CID 68854810
N-(1-iodohexan-2-yl)-4-methylbenzenesulfonamide
CID 11245994
4-methyl-N-[(2R,4R)-4-[(4-methylphenyl)sulfonylamino]pentan-2-yl]benzenesulfonamide
CID 73054079
N-(1-aminohexan-2-yl)-4-methylbenzenesulfonamide;hydrochloride
CID 119992961

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-nona-1,8-dien-5-ylbenzenesulfonamide?
The IUPAC name of 4-methyl-N-nona-1,8-dien-5-ylbenzenesulfonamide (CID 25016898) is 4-methyl-N-nona-1,8-dien-5-ylbenzenesulfonamide.
What is the SMILES notation for 4-methyl-N-nona-1,8-dien-5-ylbenzenesulfonamide?
The canonical SMILES for 4-methyl-N-nona-1,8-dien-5-ylbenzenesulfonamide is C=CCCC(CCC=C)NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-nona-1,8-dien-5-ylbenzenesulfonamide?
The InChIKey is HYFGTVLGHIOYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2S/c1-4-6-8-15(9-7-5-2)17-20(18,19)16-12-10-14(3)11-13-16/h4-5,10-13,15,17H,1-2,6-9H2,3H3.
What are the key properties of 4-methyl-N-nona-1,8-dien-5-ylbenzenesulfonamide?
4-methyl-N-nona-1,8-dien-5-ylbenzenesulfonamide has a molecular weight of 293.43 g/mol, XLogP of 3.57, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-nona-1,8-dien-5-ylbenzenesulfonamide is sourced from PubChem (CID 25016898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).