3-amino-4-(diethylamino)-N,N-diethylbenzenesulfonamide

C14H25N3O2S — CID 4236805

IUPAC3-amino-4-(diethylamino)-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)c1ccc(S(=O)(=O)N(CC)CC)cc1N
InChIInChI=1S/C14H25N3O2S/c1-5-16(6-2)14-10-9-12(11-13(14)15)20(18,19)17(7-3)8-4/h9-11H,5-8,15H2,1-4H3
InChIKeyRINICEJHAULPNR-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.15
Rot. Bonds7

About 3-amino-4-(diethylamino)-N,N-diethylbenzenesulfonamide

3-amino-4-(diethylamino)-N,N-diethylbenzenesulfonamide (PubChem CID 4236805) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is 3-amino-4-(diethylamino)-N,N-diethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-(diethylamino)-N,N-diethylbenzenesulfonamide
PubChem CID4236805
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Name3-amino-4-(diethylamino)-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)c1ccc(S(=O)(=O)N(CC)CC)cc1N
InChIInChI=1S/C14H25N3O2S/c1-5-16(6-2)14-10-9-12(11-13(14)15)20(18,19)17(7-3)8-4/h9-11H,5-8,15H2,1-4H3
InChIKeyRINICEJHAULPNR-UHFFFAOYSA-N
XLogP2.15
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(diethylamino)-N,N-diethylbenzenesulfonamide?
The IUPAC name of 3-amino-4-(diethylamino)-N,N-diethylbenzenesulfonamide (CID 4236805) is 3-amino-4-(diethylamino)-N,N-diethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-4-(diethylamino)-N,N-diethylbenzenesulfonamide?
The canonical SMILES for 3-amino-4-(diethylamino)-N,N-diethylbenzenesulfonamide is CCN(CC)c1ccc(S(=O)(=O)N(CC)CC)cc1N.
What is the InChIKey of 3-amino-4-(diethylamino)-N,N-diethylbenzenesulfonamide?
The InChIKey is RINICEJHAULPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-5-16(6-2)14-10-9-12(11-13(14)15)20(18,19)17(7-3)8-4/h9-11H,5-8,15H2,1-4H3.
What are the key properties of 3-amino-4-(diethylamino)-N,N-diethylbenzenesulfonamide?
3-amino-4-(diethylamino)-N,N-diethylbenzenesulfonamide has a molecular weight of 299.44 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(diethylamino)-N,N-diethylbenzenesulfonamide is sourced from PubChem (CID 4236805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).