4-[2-(ethylamino)ethylamino]-N-propylbenzenesulfonamide

C13H23N3O2S — CID 62665534

IUPAC4-[2-(ethylamino)ethylamino]-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(NCCNCC)cc1
InChIInChI=1S/C13H23N3O2S/c1-3-9-16-19(17,18)13-7-5-12(6-8-13)15-11-10-14-4-2/h5-8,14-16H,3-4,9-11H2,1-2H3
InChIKeyGJUFUPHSQDRDMW-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.40
Rot. Bonds9

About 4-[2-(ethylamino)ethylamino]-N-propylbenzenesulfonamide

4-[2-(ethylamino)ethylamino]-N-propylbenzenesulfonamide (PubChem CID 62665534) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is 4-[2-(ethylamino)ethylamino]-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name4-[2-(ethylamino)ethylamino]-N-propylbenzenesulfonamide
PubChem CID62665534
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name4-[2-(ethylamino)ethylamino]-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(NCCNCC)cc1
InChIInChI=1S/C13H23N3O2S/c1-3-9-16-19(17,18)13-7-5-12(6-8-13)15-11-10-14-4-2/h5-8,14-16H,3-4,9-11H2,1-2H3
InChIKeyGJUFUPHSQDRDMW-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-4-(propylamino)benzenesulfonamide
CID 43453948
4-(6-aminohexylamino)-N-propylbenzenesulfonamide
CID 107844635
4-[2-(dimethylamino)ethylamino]-N-propylbenzenesulfonamide
CID 43454080
4-(4-hydroxybutylamino)-N-propylbenzenesulfonamide
CID 106842590
4-(propylamino)-N-(2-sulfamoylethyl)benzenesulfonamide
CID 62146808
N-propyl-4-(2-prop-2-ynylsulfanylethylamino)benzenesulfonamide
CID 106430482
N-(2,2-dimethylpropyl)-4-(propylamino)benzenesulfonamide
CID 62147451
4-(methanesulfonamido)-N-propylbenzenesulfonamide
CID 6458395
1-N-[2-(ethylamino)ethyl]-4-N-(2,2,2-trifluoroethyl)benzene-1,4-disulfonamide
CID 119973745
3-[[4-(propylamino)phenyl]sulfonylamino]propanamide
CID 62146441
4-[(4-amino-2,2-dimethylbutyl)amino]-N-propylbenzenesulfonamide
CID 106141961
N-[4-[2-(ethylamino)ethylsulfamoyl]phenyl]propanamide;hydrochloride
CID 119973592

Frequently Asked Questions

What is the IUPAC name of 4-[2-(ethylamino)ethylamino]-N-propylbenzenesulfonamide?
The IUPAC name of 4-[2-(ethylamino)ethylamino]-N-propylbenzenesulfonamide (CID 62665534) is 4-[2-(ethylamino)ethylamino]-N-propylbenzenesulfonamide.
What is the SMILES notation for 4-[2-(ethylamino)ethylamino]-N-propylbenzenesulfonamide?
The canonical SMILES for 4-[2-(ethylamino)ethylamino]-N-propylbenzenesulfonamide is CCCNS(=O)(=O)c1ccc(NCCNCC)cc1.
What is the InChIKey of 4-[2-(ethylamino)ethylamino]-N-propylbenzenesulfonamide?
The InChIKey is GJUFUPHSQDRDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-3-9-16-19(17,18)13-7-5-12(6-8-13)15-11-10-14-4-2/h5-8,14-16H,3-4,9-11H2,1-2H3.
What are the key properties of 4-[2-(ethylamino)ethylamino]-N-propylbenzenesulfonamide?
4-[2-(ethylamino)ethylamino]-N-propylbenzenesulfonamide 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 4-[2-(ethylamino)ethylamino]-N-propylbenzenesulfonamide is sourced from PubChem (CID 62665534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).