4-methyl-N-[(5R)-non-1-en-5-yl]benzenesulfonamide

C16H25NO2S — CID 42632338

IUPAC4-methyl-N-[(5R)-non-1-en-5-yl]benzenesulfonamide
SMILESC=CCC[C@@H](CCCC)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H25NO2S/c1-4-6-8-15(9-7-5-2)17-20(18,19)16-12-10-14(3)11-13-16/h4,10-13,15,17H,1,5-9H2,2-3H3/t15-/m0/s1
InChIKeyJSHFZEZGIGVCKU-HNNXBMFYSA-N
MW295.45 g/mol
LogP3.80
Rot. Bonds9

About 4-methyl-N-[(5R)-non-1-en-5-yl]benzenesulfonamide

4-methyl-N-[(5R)-non-1-en-5-yl]benzenesulfonamide (PubChem CID 42632338) has the molecular formula C16H25NO2S and a molecular weight of 295.45 g/mol. Its IUPAC name is 4-methyl-N-[(5R)-non-1-en-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(5R)-non-1-en-5-yl]benzenesulfonamide
PubChem CID42632338
Molecular FormulaC16H25NO2S
Molecular Weight295.45 g/mol
Exact Mass295.16
IUPAC Name4-methyl-N-[(5R)-non-1-en-5-yl]benzenesulfonamide
SMILESC=CCC[C@@H](CCCC)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H25NO2S/c1-4-6-8-15(9-7-5-2)17-20(18,19)16-12-10-14(3)11-13-16/h4,10-13,15,17H,1,5-9H2,2-3H3/t15-/m0/s1
InChIKeyJSHFZEZGIGVCKU-HNNXBMFYSA-N
XLogP3.80
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 53.80
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-nona-1,8-dien-5-ylbenzenesulfonamide
CID 25016898
N-dec-1-en-4-yl-4-methylbenzenesulfonamide
CID 11174340
N-(1-iodohexan-2-yl)-4-methylbenzenesulfonamide
CID 11245994
N-(1-aminohexan-2-yl)-4-methylbenzenesulfonamide;hydrochloride
CID 119992961
4-methyl-N-octan-3-ylbenzenesulfonamide
CID 11822147
N-[(2S)-hex-5-en-2-yl]-4-methylbenzenesulfonamide
CID 102308151
N-(1-chlorononan-2-yl)-4-methylbenzenesulfonamide
CID 25268981
4-methyl-N-[(2R)-2-[(4-methylphenyl)sulfonylamino]octyl]benzenesulfonamide
CID 101389381
2-[(4-methylphenyl)sulfonylamino]hexyl thiocyanate
CID 86074061
4-methyl-N-undec-1-yn-4-ylbenzenesulfonamide
CID 78142014
N-(3-ethenyl-1,1,1-trifluoroheptan-2-yl)-4-methylbenzenesulfonamide
CID 10497984
N-[1-(4-chlorophenyl)pent-4-enyl]-4-methylbenzenesulfonamide
CID 25019219

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(5R)-non-1-en-5-yl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(5R)-non-1-en-5-yl]benzenesulfonamide (CID 42632338) is 4-methyl-N-[(5R)-non-1-en-5-yl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(5R)-non-1-en-5-yl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(5R)-non-1-en-5-yl]benzenesulfonamide is C=CCC[C@@H](CCCC)NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-[(5R)-non-1-en-5-yl]benzenesulfonamide?
The InChIKey is JSHFZEZGIGVCKU-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H25NO2S/c1-4-6-8-15(9-7-5-2)17-20(18,19)16-12-10-14(3)11-13-16/h4,10-13,15,17H,1,5-9H2,2-3H3/t15-/m0/s1.
What are the key properties of 4-methyl-N-[(5R)-non-1-en-5-yl]benzenesulfonamide?
4-methyl-N-[(5R)-non-1-en-5-yl]benzenesulfonamide has a molecular weight of 295.45 g/mol, XLogP of 3.80, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(5R)-non-1-en-5-yl]benzenesulfonamide is sourced from PubChem (CID 42632338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).