N-(2,6-dimethylhept-1-en-4-yl)-4-methylbenzenesulfonamide

C16H25NO2S — CID 57149498

IUPACN-(2,6-dimethylhept-1-en-4-yl)-4-methylbenzenesulfonamide
SMILESC=C(C)CC(CC(C)C)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H25NO2S/c1-12(2)10-15(11-13(3)4)17-20(18,19)16-8-6-14(5)7-9-16/h6-9,13,15,17H,1,10-11H2,2-5H3
InChIKeyWUGNATDKDZIYCQ-UHFFFAOYSA-N
MW295.45 g/mol
LogP3.65
Rot. Bonds7

About N-(2,6-dimethylhept-1-en-4-yl)-4-methylbenzenesulfonamide

N-(2,6-dimethylhept-1-en-4-yl)-4-methylbenzenesulfonamide (PubChem CID 57149498) has the molecular formula C16H25NO2S and a molecular weight of 295.45 g/mol. Its IUPAC name is N-(2,6-dimethylhept-1-en-4-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,6-dimethylhept-1-en-4-yl)-4-methylbenzenesulfonamide
PubChem CID57149498
Molecular FormulaC16H25NO2S
Molecular Weight295.45 g/mol
Exact Mass295.16
IUPAC NameN-(2,6-dimethylhept-1-en-4-yl)-4-methylbenzenesulfonamide
SMILESC=C(C)CC(CC(C)C)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H25NO2S/c1-12(2)10-15(11-13(3)4)17-20(18,19)16-8-6-14(5)7-9-16/h6-9,13,15,17H,1,10-11H2,2-5H3
InChIKeyWUGNATDKDZIYCQ-UHFFFAOYSA-N
XLogP3.65
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 53.65
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

(2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 8897361
(2R)-2-[[carboxy-[(4-methylphenyl)sulfonylamino]methyl]amino]-4-methylpentanoic acid
CID 53389398
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-propylpentanamide
CID 18104806
4-methyl-N-[(4S)-2-methyl-8-oxodec-6-yn-4-yl]benzenesulfonamide
CID 11566206
4-methyl-N-[(2R,4R)-4-[(4-methylphenyl)sulfonylamino]pentan-2-yl]benzenesulfonamide
CID 73054079
[(3R,4S)-2-iodo-6-methyl-3-[(4-methylphenyl)sulfonylamino]hept-1-en-4-yl] acetate
CID 14789144
N-[(2S)-1-(1,3-dithian-2-yl)-4-methylpentan-2-yl]-4-methylbenzenesulfonamide
CID 10714413
4-bromo-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]benzenesulfonamide
CID 10472170
N-(1-hydroxy-4-methylpentan-2-yl)-4-iodobenzenesulfonamide
CID 61247517
tert-butyl 4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate
CID 14666516
2-methylpropyl 4-iodo-3-[(4-methylphenyl)sulfonylamino]butanoate
CID 72962931
4-methyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzenesulfonamide
CID 25271984

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylhept-1-en-4-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(2,6-dimethylhept-1-en-4-yl)-4-methylbenzenesulfonamide (CID 57149498) is N-(2,6-dimethylhept-1-en-4-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(2,6-dimethylhept-1-en-4-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(2,6-dimethylhept-1-en-4-yl)-4-methylbenzenesulfonamide is C=C(C)CC(CC(C)C)NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(2,6-dimethylhept-1-en-4-yl)-4-methylbenzenesulfonamide?
The InChIKey is WUGNATDKDZIYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2S/c1-12(2)10-15(11-13(3)4)17-20(18,19)16-8-6-14(5)7-9-16/h6-9,13,15,17H,1,10-11H2,2-5H3.
What are the key properties of N-(2,6-dimethylhept-1-en-4-yl)-4-methylbenzenesulfonamide?
N-(2,6-dimethylhept-1-en-4-yl)-4-methylbenzenesulfonamide has a molecular weight of 295.45 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylhept-1-en-4-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 57149498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).