4-(8-aminooctyl)-N,N-dipropylbenzenesulfonamide

C20H36N2O2S — CID 162429714

IUPAC4-(8-aminooctyl)-N,N-dipropylbenzenesulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(CCCCCCCCN)cc1
InChIInChI=1S/C20H36N2O2S/c1-3-17-22(18-4-2)25(23,24)20-14-12-19(13-15-20)11-9-7-5-6-8-10-16-21/h12-15H,3-11,16-18,21H2,1-2H3
InChIKeyWAJASAXLEYELED-UHFFFAOYSA-N
MW368.59 g/mol
LogP4.34
Rot. Bonds14

About 4-(8-aminooctyl)-N,N-dipropylbenzenesulfonamide

4-(8-aminooctyl)-N,N-dipropylbenzenesulfonamide (PubChem CID 162429714) has the molecular formula C20H36N2O2S and a molecular weight of 368.59 g/mol. Its IUPAC name is 4-(8-aminooctyl)-N,N-dipropylbenzenesulfonamide.

Molecular Properties

Compound Name4-(8-aminooctyl)-N,N-dipropylbenzenesulfonamide
PubChem CID162429714
Molecular FormulaC20H36N2O2S
Molecular Weight368.59 g/mol
Exact Mass368.25
IUPAC Name4-(8-aminooctyl)-N,N-dipropylbenzenesulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(CCCCCCCCN)cc1
InChIInChI=1S/C20H36N2O2S/c1-3-17-22(18-4-2)25(23,24)20-14-12-19(13-15-20)11-9-7-5-6-8-10-16-21/h12-15H,3-11,16-18,21H2,1-2H3
InChIKeyWAJASAXLEYELED-UHFFFAOYSA-N
XLogP4.34
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.59
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-N,4-dipropylbenzenesulfonamide
CID 61350112
N-(3-aminopropyl)-N-ethyl-4-propylbenzenesulfonamide
CID 61071536
ethyl 3-[(4-hexylphenyl)sulfonyl-propylamino]propanoate
CID 84557777
N-(3-aminopropyl)-4-methyl-N-propylbenzenesulfonamide
CID 43136951
N-(2-aminoethyl)-4-methyl-N-propylbenzenesulfonamide
CID 61348592
3-[ethyl-(4-hexylphenyl)sulfonylamino]propanoic acid
CID 84557829
6-(4-propylphenyl)hexan-1-amine
CID 65300510
4-(9-aminononyl)benzenesulfonic acid
CID 57192247
3-[4-[3-[(4-phenylphenyl)sulfonyl-propylamino]propyl]phenyl]propanoic acid
CID 58712936
4-dodecyl-N-[6-[(4-dodecylphenyl)sulfonyl-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]amino]hexyl]-N-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]benzenesulfonamide
CID 122370740
4-(dipropylsulfamoyl)benzenesulfonyl chloride
CID 154093021
sodium;4-(9-aminononyl)benzenesulfonic acid;hydride
CID 173354445

Frequently Asked Questions

What is the IUPAC name of 4-(8-aminooctyl)-N,N-dipropylbenzenesulfonamide?
The IUPAC name of 4-(8-aminooctyl)-N,N-dipropylbenzenesulfonamide (CID 162429714) is 4-(8-aminooctyl)-N,N-dipropylbenzenesulfonamide.
What is the SMILES notation for 4-(8-aminooctyl)-N,N-dipropylbenzenesulfonamide?
The canonical SMILES for 4-(8-aminooctyl)-N,N-dipropylbenzenesulfonamide is CCCN(CCC)S(=O)(=O)c1ccc(CCCCCCCCN)cc1.
What is the InChIKey of 4-(8-aminooctyl)-N,N-dipropylbenzenesulfonamide?
The InChIKey is WAJASAXLEYELED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O2S/c1-3-17-22(18-4-2)25(23,24)20-14-12-19(13-15-20)11-9-7-5-6-8-10-16-21/h12-15H,3-11,16-18,21H2,1-2H3.
What are the key properties of 4-(8-aminooctyl)-N,N-dipropylbenzenesulfonamide?
4-(8-aminooctyl)-N,N-dipropylbenzenesulfonamide has a molecular weight of 368.59 g/mol, XLogP of 4.34, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-aminooctyl)-N,N-dipropylbenzenesulfonamide is sourced from PubChem (CID 162429714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).