N-ethyl-2-[3-(ethylamino)propylamino]benzenesulfonamide

C13H23N3O2S — CID 54907058

IUPACN-ethyl-2-[3-(ethylamino)propylamino]benzenesulfonamide
SMILESCCNCCCNc1ccccc1S(=O)(=O)NCC
InChIInChI=1S/C13H23N3O2S/c1-3-14-10-7-11-15-12-8-5-6-9-13(12)19(17,18)16-4-2/h5-6,8-9,14-16H,3-4,7,10-11H2,1-2H3
InChIKeyMOLSPBPZOOLLIC-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.40
Rot. Bonds9

About N-ethyl-2-[3-(ethylamino)propylamino]benzenesulfonamide

N-ethyl-2-[3-(ethylamino)propylamino]benzenesulfonamide (PubChem CID 54907058) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is N-ethyl-2-[3-(ethylamino)propylamino]benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-[3-(ethylamino)propylamino]benzenesulfonamide
PubChem CID54907058
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC NameN-ethyl-2-[3-(ethylamino)propylamino]benzenesulfonamide
SMILESCCNCCCNc1ccccc1S(=O)(=O)NCC
InChIInChI=1S/C13H23N3O2S/c1-3-14-10-7-11-15-12-8-5-6-9-13(12)19(17,18)16-4-2/h5-6,8-9,14-16H,3-4,7,10-11H2,1-2H3
InChIKeyMOLSPBPZOOLLIC-UHFFFAOYSA-N
XLogP1.40
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.40
H-Bond Donors ≤ 53
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-2-(4-methylpentylamino)benzenesulfonamide
CID 54913733
N-ethyl-2-[[(E)-pent-3-enyl]amino]benzenesulfonamide
CID 113465748
N-ethyl-2-hydrazinylbenzenesulfonamide
CID 43454365
2-(2,2-dimethylbutylamino)-N-ethylbenzenesulfonamide
CID 103462606
N-ethyl-2-(2-pyrrolidin-1-ylethylamino)benzenesulfonamide
CID 62640898
2-(ethylamino)-N-pentylbenzenesulfonamide
CID 62162464
N-ethyl-2-(2-hydroxypropylamino)benzenesulfonamide
CID 43500232
2-[(5-amino-2,2-dimethylpentyl)amino]-N-ethylbenzenesulfonamide
CID 106142885
N-ethyl-2-(2-imidazol-1-ylethylamino)benzenesulfonamide
CID 61325529
2-[2-(cyclohexen-1-yl)ethylamino]-N-ethylbenzenesulfonamide
CID 61147344
N-ethyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]benzenesulfonamide
CID 63330321
2-[3-(ethylamino)propylamino]benzamide
CID 61020118

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[3-(ethylamino)propylamino]benzenesulfonamide?
The IUPAC name of N-ethyl-2-[3-(ethylamino)propylamino]benzenesulfonamide (CID 54907058) is N-ethyl-2-[3-(ethylamino)propylamino]benzenesulfonamide.
What is the SMILES notation for N-ethyl-2-[3-(ethylamino)propylamino]benzenesulfonamide?
The canonical SMILES for N-ethyl-2-[3-(ethylamino)propylamino]benzenesulfonamide is CCNCCCNc1ccccc1S(=O)(=O)NCC.
What is the InChIKey of N-ethyl-2-[3-(ethylamino)propylamino]benzenesulfonamide?
The InChIKey is MOLSPBPZOOLLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-3-14-10-7-11-15-12-8-5-6-9-13(12)19(17,18)16-4-2/h5-6,8-9,14-16H,3-4,7,10-11H2,1-2H3.
What are the key properties of N-ethyl-2-[3-(ethylamino)propylamino]benzenesulfonamide?
N-ethyl-2-[3-(ethylamino)propylamino]benzenesulfonamide has a molecular weight of 285.41 g/mol, XLogP of 1.40, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-(ethylamino)propylamino]benzenesulfonamide is sourced from PubChem (CID 54907058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).