5-amino-N,N,2-triethylbenzenesulfonamide

C12H20N2O2S — CID 43255626

IUPAC5-amino-N,N,2-triethylbenzenesulfonamide
SMILESCCc1ccc(N)cc1S(=O)(=O)N(CC)CC
InChIInChI=1S/C12H20N2O2S/c1-4-10-7-8-11(13)9-12(10)17(15,16)14(5-2)6-3/h7-9H,4-6,13H2,1-3H3
InChIKeyOYBKCAZEFOULOA-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.86
Rot. Bonds5

About 5-amino-N,N,2-triethylbenzenesulfonamide

5-amino-N,N,2-triethylbenzenesulfonamide (PubChem CID 43255626) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 5-amino-N,N,2-triethylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N,N,2-triethylbenzenesulfonamide
PubChem CID43255626
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name5-amino-N,N,2-triethylbenzenesulfonamide
SMILESCCc1ccc(N)cc1S(=O)(=O)N(CC)CC
InChIInChI=1S/C12H20N2O2S/c1-4-10-7-8-11(13)9-12(10)17(15,16)14(5-2)6-3/h7-9H,4-6,13H2,1-3H3
InChIKeyOYBKCAZEFOULOA-UHFFFAOYSA-N
XLogP1.86
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-ethyl-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 43587392
5-amino-N,N-diethyl-2-methylbenzenesulfonamide
CID 3643281
2-[(5-amino-2-ethylphenyl)sulfonyl-ethylamino]-N-ethylacetamide
CID 61114283
5-amino-N-cyclopentyl-2-ethyl-N-methylbenzenesulfonamide
CID 43266863
5-amino-2-ethyl-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide
CID 62333305
5-amino-2-ethyl-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 113498553
5-amino-2-ethyl-N-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 61114748
5-amino-N,N-diethyl-2-pyrrolidin-1-ylbenzenesulfonamide
CID 28795814
5-amino-N-benzyl-2-ethyl-N-methylbenzenesulfonamide
CID 43256238
5-amino-N-ethyl-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide
CID 54879902
5-amino-2-ethyl-N-methyl-N-(2-methylcyclohexyl)benzenesulfonamide
CID 61113686
5-amino-N-[2-(diethylamino)ethyl]-2-ethylbenzenesulfonamide
CID 43255855

Frequently Asked Questions

What is the IUPAC name of 5-amino-N,N,2-triethylbenzenesulfonamide?
The IUPAC name of 5-amino-N,N,2-triethylbenzenesulfonamide (CID 43255626) is 5-amino-N,N,2-triethylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N,N,2-triethylbenzenesulfonamide?
The canonical SMILES for 5-amino-N,N,2-triethylbenzenesulfonamide is CCc1ccc(N)cc1S(=O)(=O)N(CC)CC.
What is the InChIKey of 5-amino-N,N,2-triethylbenzenesulfonamide?
The InChIKey is OYBKCAZEFOULOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-4-10-7-8-11(13)9-12(10)17(15,16)14(5-2)6-3/h7-9H,4-6,13H2,1-3H3.
What are the key properties of 5-amino-N,N,2-triethylbenzenesulfonamide?
5-amino-N,N,2-triethylbenzenesulfonamide has a molecular weight of 256.37 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N,N,2-triethylbenzenesulfonamide is sourced from PubChem (CID 43255626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).