5-amino-N-[2-(diethylamino)ethyl]-2-ethylbenzenesulfonamide

C14H25N3O2S — CID 43255855

IUPAC5-amino-N-[2-(diethylamino)ethyl]-2-ethylbenzenesulfonamide
SMILESCCc1ccc(N)cc1S(=O)(=O)NCCN(CC)CC
InChIInChI=1S/C14H25N3O2S/c1-4-12-7-8-13(15)11-14(12)20(18,19)16-9-10-17(5-2)6-3/h7-8,11,16H,4-6,9-10,15H2,1-3H3
InChIKeyHNLWPMFGBTXDTP-UHFFFAOYSA-N
MW299.44 g/mol
LogP1.45
Rot. Bonds8

About 5-amino-N-[2-(diethylamino)ethyl]-2-ethylbenzenesulfonamide

5-amino-N-[2-(diethylamino)ethyl]-2-ethylbenzenesulfonamide (PubChem CID 43255855) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is 5-amino-N-[2-(diethylamino)ethyl]-2-ethylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-[2-(diethylamino)ethyl]-2-ethylbenzenesulfonamide
PubChem CID43255855
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Name5-amino-N-[2-(diethylamino)ethyl]-2-ethylbenzenesulfonamide
SMILESCCc1ccc(N)cc1S(=O)(=O)NCCN(CC)CC
InChIInChI=1S/C14H25N3O2S/c1-4-12-7-8-13(15)11-14(12)20(18,19)16-9-10-17(5-2)6-3/h7-8,11,16H,4-6,9-10,15H2,1-3H3
InChIKeyHNLWPMFGBTXDTP-UHFFFAOYSA-N
XLogP1.45
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(5-amino-2-ethylphenyl)sulfonylamino]pentanamide
CID 106233687
4-amino-N-[3-(diethylamino)propyl]-2-methoxybenzenesulfonamide
CID 3046698
5-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-2-ethylbenzenesulfonamide
CID 106035162
5-amino-N-(2,2-difluoroethyl)-2-ethylbenzenesulfonamide
CID 113303506
4-(4-aminophenyl)-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 110454407
5-amino-2-ethyl-N-(2-imidazol-1-ylethyl)benzenesulfonamide
CID 61326120
5-amino-2-ethyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114615046
5-amino-2-ethyl-N-(2-prop-2-ynylsulfanylethyl)benzenesulfonamide
CID 106425673
5-amino-2-ethyl-N-(3-methylbut-2-enyl)benzenesulfonamide
CID 114154840
5-amino-2-ethyl-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide
CID 106006826
5-amino-2-ethyl-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
CID 63821839
5-amino-N,N,2-triethylbenzenesulfonamide
CID 43255626

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(diethylamino)ethyl]-2-ethylbenzenesulfonamide?
The IUPAC name of 5-amino-N-[2-(diethylamino)ethyl]-2-ethylbenzenesulfonamide (CID 43255855) is 5-amino-N-[2-(diethylamino)ethyl]-2-ethylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-[2-(diethylamino)ethyl]-2-ethylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-[2-(diethylamino)ethyl]-2-ethylbenzenesulfonamide is CCc1ccc(N)cc1S(=O)(=O)NCCN(CC)CC.
What is the InChIKey of 5-amino-N-[2-(diethylamino)ethyl]-2-ethylbenzenesulfonamide?
The InChIKey is HNLWPMFGBTXDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-4-12-7-8-13(15)11-14(12)20(18,19)16-9-10-17(5-2)6-3/h7-8,11,16H,4-6,9-10,15H2,1-3H3.
What are the key properties of 5-amino-N-[2-(diethylamino)ethyl]-2-ethylbenzenesulfonamide?
5-amino-N-[2-(diethylamino)ethyl]-2-ethylbenzenesulfonamide has a molecular weight of 299.44 g/mol, XLogP of 1.45, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-(diethylamino)ethyl]-2-ethylbenzenesulfonamide is sourced from PubChem (CID 43255855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).