4-amino-N-[3-[decyl-[3-(diethylamino)propyl]amino]propyl]benzenesulfonamide

C26H50N4O2S — CID 154196449

IUPAC4-amino-N-[3-[decyl-[3-(diethylamino)propyl]amino]propyl]benzenesulfonamide
SMILESCCCCCCCCCCN(CCCNS(=O)(=O)c1ccc(N)cc1)CCCN(CC)CC
InChIInChI=1S/C26H50N4O2S/c1-4-7-8-9-10-11-12-13-21-30(24-15-23-29(5-2)6-3)22-14-20-28-33(31,32)26-18-16-25(27)17-19-26/h16-19,28H,4-15,20-24,27H2,1-3H3
InChIKeyQFABMGABXOHLPA-UHFFFAOYSA-N
MW482.78 g/mol
LogP5.11
Rot. Bonds21

About 4-amino-N-[3-[decyl-[3-(diethylamino)propyl]amino]propyl]benzenesulfonamide

4-amino-N-[3-[decyl-[3-(diethylamino)propyl]amino]propyl]benzenesulfonamide (PubChem CID 154196449) has the molecular formula C26H50N4O2S and a molecular weight of 482.78 g/mol. Its IUPAC name is 4-amino-N-[3-[decyl-[3-(diethylamino)propyl]amino]propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[3-[decyl-[3-(diethylamino)propyl]amino]propyl]benzenesulfonamide
PubChem CID154196449
Molecular FormulaC26H50N4O2S
Molecular Weight482.78 g/mol
Exact Mass482.37
IUPAC Name4-amino-N-[3-[decyl-[3-(diethylamino)propyl]amino]propyl]benzenesulfonamide
SMILESCCCCCCCCCCN(CCCNS(=O)(=O)c1ccc(N)cc1)CCCN(CC)CC
InChIInChI=1S/C26H50N4O2S/c1-4-7-8-9-10-11-12-13-21-30(24-15-23-29(5-2)6-3)22-14-20-28-33(31,32)26-18-16-25(27)17-19-26/h16-19,28H,4-15,20-24,27H2,1-3H3
InChIKeyQFABMGABXOHLPA-UHFFFAOYSA-N
XLogP5.11
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds21
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.78
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

4-amino-N-octadecylbenzenesulfonamide;hydrochloride
CID 45050161
4-(4-aminophenyl)-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 110454407
N-[5-(diethylamino)pentyl]benzenesulfonamide
CID 110444587
N-[3-(diethylamino)propyl]-4-(1-hydroxyethyl)benzenesulfonamide
CID 43507419
4-amino-N-(5-hydroxypentyl)benzenesulfonamide
CID 107316374
N-[3-(diethylamino)propyl]-3,4-difluorobenzenesulfonamide
CID 6735582
4-amino-N-[3-(diethylamino)propyl]-2-methoxybenzenesulfonamide
CID 3046698
N-[3-(diethylamino)propyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 18525278
4-[3-(diethylamino)propylamino]-N-ethylbenzenesulfonamide
CID 43453969
5-amino-1-N,3-N-didodecylbenzene-1,3-disulfonamide
CID 91728635
4-ethyl-N-hexylbenzenesulfonamide
CID 19681236
N-tridecylbenzenesulfonamide
CID 3514704

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-[decyl-[3-(diethylamino)propyl]amino]propyl]benzenesulfonamide?
The IUPAC name of 4-amino-N-[3-[decyl-[3-(diethylamino)propyl]amino]propyl]benzenesulfonamide (CID 154196449) is 4-amino-N-[3-[decyl-[3-(diethylamino)propyl]amino]propyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-N-[3-[decyl-[3-(diethylamino)propyl]amino]propyl]benzenesulfonamide?
The canonical SMILES for 4-amino-N-[3-[decyl-[3-(diethylamino)propyl]amino]propyl]benzenesulfonamide is CCCCCCCCCCN(CCCNS(=O)(=O)c1ccc(N)cc1)CCCN(CC)CC.
What is the InChIKey of 4-amino-N-[3-[decyl-[3-(diethylamino)propyl]amino]propyl]benzenesulfonamide?
The InChIKey is QFABMGABXOHLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H50N4O2S/c1-4-7-8-9-10-11-12-13-21-30(24-15-23-29(5-2)6-3)22-14-20-28-33(31,32)26-18-16-25(27)17-19-26/h16-19,28H,4-15,20-24,27H2,1-3H3.
What are the key properties of 4-amino-N-[3-[decyl-[3-(diethylamino)propyl]amino]propyl]benzenesulfonamide?
4-amino-N-[3-[decyl-[3-(diethylamino)propyl]amino]propyl]benzenesulfonamide has a molecular weight of 482.78 g/mol, XLogP of 5.11, 21 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-[decyl-[3-(diethylamino)propyl]amino]propyl]benzenesulfonamide is sourced from PubChem (CID 154196449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).