4-[3-(diethylamino)propylamino]-N-ethylbenzenesulfonamide

C15H27N3O2S — CID 43453969

IUPAC4-[3-(diethylamino)propylamino]-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(NCCCN(CC)CC)cc1
InChIInChI=1S/C15H27N3O2S/c1-4-17-21(19,20)15-10-8-14(9-11-15)16-12-7-13-18(5-2)6-3/h8-11,16-17H,4-7,12-13H2,1-3H3
InChIKeyOQMOAUVKIAGHFD-UHFFFAOYSA-N
MW313.47 g/mol
LogP2.13
Rot. Bonds10

About 4-[3-(diethylamino)propylamino]-N-ethylbenzenesulfonamide

4-[3-(diethylamino)propylamino]-N-ethylbenzenesulfonamide (PubChem CID 43453969) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is 4-[3-(diethylamino)propylamino]-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[3-(diethylamino)propylamino]-N-ethylbenzenesulfonamide
PubChem CID43453969
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC Name4-[3-(diethylamino)propylamino]-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(NCCCN(CC)CC)cc1
InChIInChI=1S/C15H27N3O2S/c1-4-17-21(19,20)15-10-8-14(9-11-15)16-12-7-13-18(5-2)6-3/h8-11,16-17H,4-7,12-13H2,1-3H3
InChIKeyOQMOAUVKIAGHFD-UHFFFAOYSA-N
XLogP2.13
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 52.13
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

N-ethyl-4-(5-hydroxypentylamino)benzenesulfonamide
CID 107318094
N-ethyl-4-(propylamino)benzenesulfonamide
CID 43453948
4-[4-(ethylsulfamoyl)anilino]butanamide
CID 60864144
N-ethyl-4-(3,3,3-trifluoropropylamino)benzenesulfonamide
CID 63226786
N-[2-(diethylamino)ethyl]-4-(methylamino)benzenesulfonamide
CID 43332072
4-(2-ethoxyethylamino)-N-ethylbenzenesulfonamide
CID 43591283
N-[3-(diethylamino)propyl]-3,4-difluorobenzenesulfonamide
CID 6735582
4-(ethylamino)-N-[2-[ethyl(methyl)amino]ethyl]benzenesulfonamide
CID 62640211
4-(4-hydroxybutylamino)-N-propylbenzenesulfonamide
CID 106842590
N-[2-(diethylamino)ethyl]-4-(ethylsulfamoyl)benzamide
CID 26532746
N-[3-(diethylamino)propyl]-4-(1-hydroxyethyl)benzenesulfonamide
CID 43507419
N-[3-(diethylamino)propyl]-2-(ethylamino)pyrimidine-5-sulfonamide
CID 62143309

Frequently Asked Questions

What is the IUPAC name of 4-[3-(diethylamino)propylamino]-N-ethylbenzenesulfonamide?
The IUPAC name of 4-[3-(diethylamino)propylamino]-N-ethylbenzenesulfonamide (CID 43453969) is 4-[3-(diethylamino)propylamino]-N-ethylbenzenesulfonamide.
What is the SMILES notation for 4-[3-(diethylamino)propylamino]-N-ethylbenzenesulfonamide?
The canonical SMILES for 4-[3-(diethylamino)propylamino]-N-ethylbenzenesulfonamide is CCNS(=O)(=O)c1ccc(NCCCN(CC)CC)cc1.
What is the InChIKey of 4-[3-(diethylamino)propylamino]-N-ethylbenzenesulfonamide?
The InChIKey is OQMOAUVKIAGHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-4-17-21(19,20)15-10-8-14(9-11-15)16-12-7-13-18(5-2)6-3/h8-11,16-17H,4-7,12-13H2,1-3H3.
What are the key properties of 4-[3-(diethylamino)propylamino]-N-ethylbenzenesulfonamide?
4-[3-(diethylamino)propylamino]-N-ethylbenzenesulfonamide has a molecular weight of 313.47 g/mol, XLogP of 2.13, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(diethylamino)propylamino]-N-ethylbenzenesulfonamide is sourced from PubChem (CID 43453969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).