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

C62H112N2O14S2 — CID 122370740

IUPAC4-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
SMILESCCCCCCCCCCCCc1ccc(S(=O)(=O)N(CCCCCCN(CCOCCOCCOCCOCCO)S(=O)(=O)c2ccc(CCCCCCCCCCCC)cc2)CCOCCOCCOCCOCCO)cc1
InChIInChI=1S/C62H112N2O14S2/c1-3-5-7-9-11-13-15-17-19-23-27-59-29-33-61(34-30-59)79(67,68)63(39-43-71-47-51-75-55-57-77-53-49-73-45-41-65)37-25-21-22-26-38-64(40-44-72-48-52-76-56-58-78-54-50-74-46-42-66)80(69,70)62-35-31-60(32-36-62)28-24-20-18-16-14-12-10-8-6-4-2/h29-36,65-66H,3-28,37-58H2,1-2H3
InChIKeyRKBYTXCTLWFWNJ-UHFFFAOYSA-N
MW1173.71 g/mol
LogP10.97
Rot. Bonds61

About 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

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 (PubChem CID 122370740) has the molecular formula C62H112N2O14S2 and a molecular weight of 1173.71 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID122370740
Molecular FormulaC62H112N2O14S2
Molecular Weight1173.71 g/mol
Exact Mass1172.76
IUPAC Name4-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
SMILESCCCCCCCCCCCCc1ccc(S(=O)(=O)N(CCCCCCN(CCOCCOCCOCCOCCO)S(=O)(=O)c2ccc(CCCCCCCCCCCC)cc2)CCOCCOCCOCCOCCO)cc1
InChIInChI=1S/C62H112N2O14S2/c1-3-5-7-9-11-13-15-17-19-23-27-59-29-33-61(34-30-59)79(67,68)63(39-43-71-47-51-75-55-57-77-53-49-73-45-41-65)37-25-21-22-26-38-64(40-44-72-48-52-76-56-58-78-54-50-74-46-42-66)80(69,70)62-35-31-60(32-36-62)28-24-20-18-16-14-12-10-8-6-4-2/h29-36,65-66H,3-28,37-58H2,1-2H3
InChIKeyRKBYTXCTLWFWNJ-UHFFFAOYSA-N
XLogP10.97
TPSA189.06 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds61
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001173.71
LogP ≤ 510.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

N-(7-heptoxyheptyl)-4-methyl-N-tetradecylbenzenesulfonamide
CID 171730221
3-[ethyl-(4-hexylphenyl)sulfonylamino]propanoic acid
CID 84557829
ethyl 3-[(4-hexylphenyl)sulfonyl-propylamino]propanoate
CID 84557777
2-(2-hydroxyethoxy)ethanol;4-octylphenol
CID 158887559
2-[2-[2-(4-undecylphenoxy)ethoxy]ethoxy]ethanol
CID 139672885
N-butyl-4-(2-chloroethyl)-N-(2-hydroxyethyl)benzenesulfonamide
CID 60958697
4-(8-aminooctyl)-N,N-dipropylbenzenesulfonamide
CID 162429714
4-chloro-N,N-dihexylbenzenesulfonamide
CID 3310777
4-fluoro-N,N-dihexylbenzenesulfonamide
CID 3650162
N-ethyl-N-[2-[2-[2-[2-[2-hydroxyethyl-(4-methylphenyl)sulfonylamino]ethyl-(4-methylphenyl)sulfonylamino]ethoxy]ethyl-(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 100986628
4-[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propyl]benzenesulfonic acid
CID 139432783
2-[(4-butylphenyl)sulfonyl-pentylamino]-N-hydroxyacetamide
CID 142683333

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCCCCCCCCCc1ccc(S(=O)(=O)N(CCCCCCN(CCOCCOCCOCCOCCO)S(=O)(=O)c2ccc(CCCCCCCCCCCC)cc2)CCOCCOCCOCCOCCO)cc1.
What is the InChIKey of 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?
The InChIKey is RKBYTXCTLWFWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H112N2O14S2/c1-3-5-7-9-11-13-15-17-19-23-27-59-29-33-61(34-30-59)79(67,68)63(39-43-71-47-51-75-55-57-77-53-49-73-45-41-65)37-25-21-22-26-38-64(40-44-72-48-52-76-56-58-78-54-50-74-46-42-66)80(69,70)62-35-31-60(32-36-62)28-24-20-18-16-14-12-10-8-6-4-2/h29-36,65-66H,3-28,37-58H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1173.71 g/mol, XLogP of 10.97, 61 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 122370740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).