4-amino-2,6-dimethyl-N-(5-methylhexyl)benzenesulfonamide

C15H26N2O2S — CID 115324523

IUPAC4-amino-2,6-dimethyl-N-(5-methylhexyl)benzenesulfonamide
SMILESCc1cc(N)cc(C)c1S(=O)(=O)NCCCCC(C)C
InChIInChI=1S/C15H26N2O2S/c1-11(2)7-5-6-8-17-20(18,19)15-12(3)9-14(16)10-13(15)4/h9-11,17H,5-8,16H2,1-4H3
InChIKeyAPLWERRZQKTKRV-UHFFFAOYSA-N
MW298.45 g/mol
LogP2.99
Rot. Bonds7

About 4-amino-2,6-dimethyl-N-(5-methylhexyl)benzenesulfonamide

4-amino-2,6-dimethyl-N-(5-methylhexyl)benzenesulfonamide (PubChem CID 115324523) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is 4-amino-2,6-dimethyl-N-(5-methylhexyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dimethyl-N-(5-methylhexyl)benzenesulfonamide
PubChem CID115324523
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC Name4-amino-2,6-dimethyl-N-(5-methylhexyl)benzenesulfonamide
SMILESCc1cc(N)cc(C)c1S(=O)(=O)NCCCCC(C)C
InChIInChI=1S/C15H26N2O2S/c1-11(2)7-5-6-8-17-20(18,19)15-12(3)9-14(16)10-13(15)4/h9-11,17H,5-8,16H2,1-4H3
InChIKeyAPLWERRZQKTKRV-UHFFFAOYSA-N
XLogP2.99
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-methyl-N-(5-methylhexyl)benzenesulfonamide
CID 115324605
5-amino-2-fluoro-3-methyl-N-(4-methylpentyl)benzenesulfonamide
CID 80646485
4-amino-2,6-dimethyl-N-propylbenzenesulfonamide
CID 79588837
4-amino-2,6-dimethyl-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 79589376
4-amino-2,6-dimethyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 79588681
4-amino-2,6-dimethyl-N-(3-propoxypropyl)benzenesulfonamide
CID 82950627
5-amino-2-chloro-4-methyl-N-(5-methylhexyl)benzenesulfonamide
CID 115324554
1-(4-aminophenyl)-N-(5-methylhexyl)methanesulfonamide
CID 115324575
5-amino-2-methoxy-N-(5-methylhexyl)benzenesulfonamide
CID 115324528
3-amino-4-chloro-N-(5-methylhexyl)benzenesulfonamide
CID 115324593
5-amino-N-(4-hydroxypentyl)-2,3-dimethylbenzenesulfonamide
CID 106119263
N-(4-aminobutyl)-4-tert-butyl-2,6-dimethylbenzenesulfonamide;hydrochloride
CID 120583236

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dimethyl-N-(5-methylhexyl)benzenesulfonamide?
The IUPAC name of 4-amino-2,6-dimethyl-N-(5-methylhexyl)benzenesulfonamide (CID 115324523) is 4-amino-2,6-dimethyl-N-(5-methylhexyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dimethyl-N-(5-methylhexyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dimethyl-N-(5-methylhexyl)benzenesulfonamide is Cc1cc(N)cc(C)c1S(=O)(=O)NCCCCC(C)C.
What is the InChIKey of 4-amino-2,6-dimethyl-N-(5-methylhexyl)benzenesulfonamide?
The InChIKey is APLWERRZQKTKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-11(2)7-5-6-8-17-20(18,19)15-12(3)9-14(16)10-13(15)4/h9-11,17H,5-8,16H2,1-4H3.
What are the key properties of 4-amino-2,6-dimethyl-N-(5-methylhexyl)benzenesulfonamide?
4-amino-2,6-dimethyl-N-(5-methylhexyl)benzenesulfonamide has a molecular weight of 298.45 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-dimethyl-N-(5-methylhexyl)benzenesulfonamide is sourced from PubChem (CID 115324523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).