N-(5-methoxypentyl)-4-[2-(methylamino)ethyl]benzenesulfonamide

C15H26N2O3S — CID 106092787

IUPACN-(5-methoxypentyl)-4-[2-(methylamino)ethyl]benzenesulfonamide
SMILESCNCCc1ccc(S(=O)(=O)NCCCCCOC)cc1
InChIInChI=1S/C15H26N2O3S/c1-16-12-10-14-6-8-15(9-7-14)21(18,19)17-11-4-3-5-13-20-2/h6-9,16-17H,3-5,10-13H2,1-2H3
InChIKeyYBKVGBLMXCSTIE-UHFFFAOYSA-N
MW314.45 g/mol
LogP1.54
Rot. Bonds11

About N-(5-methoxypentyl)-4-[2-(methylamino)ethyl]benzenesulfonamide

N-(5-methoxypentyl)-4-[2-(methylamino)ethyl]benzenesulfonamide (PubChem CID 106092787) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is N-(5-methoxypentyl)-4-[2-(methylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(5-methoxypentyl)-4-[2-(methylamino)ethyl]benzenesulfonamide
PubChem CID106092787
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC NameN-(5-methoxypentyl)-4-[2-(methylamino)ethyl]benzenesulfonamide
SMILESCNCCc1ccc(S(=O)(=O)NCCCCCOC)cc1
InChIInChI=1S/C15H26N2O3S/c1-16-12-10-14-6-8-15(9-7-14)21(18,19)17-11-4-3-5-13-20-2/h6-9,16-17H,3-5,10-13H2,1-2H3
InChIKeyYBKVGBLMXCSTIE-UHFFFAOYSA-N
XLogP1.54
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-aminoethoxy)-N-(4-methoxybutyl)benzenesulfonamide
CID 106053962
2-[4-(3-methoxypropyl)phenyl]-N-methylethanamine
CID 117108047
N-(4-methoxybutyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide
CID 110610137
4-bromo-N-(3-methoxypropyl)benzenesulfonamide
CID 4619228
N-(3-butoxypropyl)-4-hexylbenzenesulfonamide
CID 84556936
N-(5-methoxypentyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 106092695
N-(4-methoxybutyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110418054
N-[(1-methoxycyclobutyl)methyl]-4-[2-(methylamino)ethyl]benzenesulfonamide
CID 106091027
N-(3-methoxypropyl)-3,4-dimethylbenzenesulfonamide
CID 2095776
4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzenesulfonamide
CID 2164945
4-(2-bromoethyl)-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 110316621
4-ethylsulfonyl-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 55915922

Frequently Asked Questions

What is the IUPAC name of N-(5-methoxypentyl)-4-[2-(methylamino)ethyl]benzenesulfonamide?
The IUPAC name of N-(5-methoxypentyl)-4-[2-(methylamino)ethyl]benzenesulfonamide (CID 106092787) is N-(5-methoxypentyl)-4-[2-(methylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for N-(5-methoxypentyl)-4-[2-(methylamino)ethyl]benzenesulfonamide?
The canonical SMILES for N-(5-methoxypentyl)-4-[2-(methylamino)ethyl]benzenesulfonamide is CNCCc1ccc(S(=O)(=O)NCCCCCOC)cc1.
What is the InChIKey of N-(5-methoxypentyl)-4-[2-(methylamino)ethyl]benzenesulfonamide?
The InChIKey is YBKVGBLMXCSTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-16-12-10-14-6-8-15(9-7-14)21(18,19)17-11-4-3-5-13-20-2/h6-9,16-17H,3-5,10-13H2,1-2H3.
What are the key properties of N-(5-methoxypentyl)-4-[2-(methylamino)ethyl]benzenesulfonamide?
N-(5-methoxypentyl)-4-[2-(methylamino)ethyl]benzenesulfonamide has a molecular weight of 314.45 g/mol, XLogP of 1.54, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxypentyl)-4-[2-(methylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 106092787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).