N-dec-1-en-4-yl-4-methylbenzenesulfonamide

C17H27NO2S — CID 11174340

IUPACN-dec-1-en-4-yl-4-methylbenzenesulfonamide
SMILESC=CCC(CCCCCC)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H27NO2S/c1-4-6-7-8-10-16(9-5-2)18-21(19,20)17-13-11-15(3)12-14-17/h5,11-14,16,18H,2,4,6-10H2,1,3H3
InChIKeySCFOQPOESYEKEK-UHFFFAOYSA-N
MW309.48 g/mol
LogP4.19
Rot. Bonds10

About N-dec-1-en-4-yl-4-methylbenzenesulfonamide

N-dec-1-en-4-yl-4-methylbenzenesulfonamide (PubChem CID 11174340) has the molecular formula C17H27NO2S and a molecular weight of 309.48 g/mol. Its IUPAC name is N-dec-1-en-4-yl-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-dec-1-en-4-yl-4-methylbenzenesulfonamide
PubChem CID11174340
Molecular FormulaC17H27NO2S
Molecular Weight309.48 g/mol
Exact Mass309.18
IUPAC NameN-dec-1-en-4-yl-4-methylbenzenesulfonamide
SMILESC=CCC(CCCCCC)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H27NO2S/c1-4-6-7-8-10-16(9-5-2)18-21(19,20)17-13-11-15(3)12-14-17/h5,11-14,16,18H,2,4,6-10H2,1,3H3
InChIKeySCFOQPOESYEKEK-UHFFFAOYSA-N
XLogP4.19
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-octan-3-ylbenzenesulfonamide
CID 11822147
4-methyl-N-[(5R)-non-1-en-5-yl]benzenesulfonamide
CID 42632338
N-(1-chlorononan-2-yl)-4-methylbenzenesulfonamide
CID 25268981
4-methyl-N-[(2R)-2-[(4-methylphenyl)sulfonylamino]octyl]benzenesulfonamide
CID 101389381
4-methyl-N-undec-1-yn-4-ylbenzenesulfonamide
CID 78142014
ethyl (3R)-3-[(4-methylphenyl)sulfonylamino]decanoate
CID 11372115
N-(1-iodohexan-2-yl)-4-methylbenzenesulfonamide
CID 11245994
4-methyl-N-nona-1,8-dien-5-ylbenzenesulfonamide
CID 25016898
N-(1-aminohexan-2-yl)-4-methylbenzenesulfonamide;hydrochloride
CID 119992961
4-methyl-N-[(2S)-1-phenylpent-4-en-2-yl]benzenesulfonamide
CID 45102183
N-[1-(N-ethylanilino)decan-2-yl]-4-methylbenzenesulfonamide
CID 11750792
N-(1-hexoxyethyl)-4-methylbenzenesulfonamide
CID 122209836

Frequently Asked Questions

What is the IUPAC name of N-dec-1-en-4-yl-4-methylbenzenesulfonamide?
The IUPAC name of N-dec-1-en-4-yl-4-methylbenzenesulfonamide (CID 11174340) is N-dec-1-en-4-yl-4-methylbenzenesulfonamide.
What is the SMILES notation for N-dec-1-en-4-yl-4-methylbenzenesulfonamide?
The canonical SMILES for N-dec-1-en-4-yl-4-methylbenzenesulfonamide is C=CCC(CCCCCC)NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-dec-1-en-4-yl-4-methylbenzenesulfonamide?
The InChIKey is SCFOQPOESYEKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2S/c1-4-6-7-8-10-16(9-5-2)18-21(19,20)17-13-11-15(3)12-14-17/h5,11-14,16,18H,2,4,6-10H2,1,3H3.
What are the key properties of N-dec-1-en-4-yl-4-methylbenzenesulfonamide?
N-dec-1-en-4-yl-4-methylbenzenesulfonamide has a molecular weight of 309.48 g/mol, XLogP of 4.19, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-dec-1-en-4-yl-4-methylbenzenesulfonamide is sourced from PubChem (CID 11174340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).