4-amino-N-(2-ethoxyethyl)-N,2-dimethylbenzenesulfonamide

C12H20N2O3S — CID 81053199

IUPAC4-amino-N-(2-ethoxyethyl)-N,2-dimethylbenzenesulfonamide
SMILESCCOCCN(C)S(=O)(=O)c1ccc(N)cc1C
InChIInChI=1S/C12H20N2O3S/c1-4-17-8-7-14(3)18(15,16)12-6-5-11(13)9-10(12)2/h5-6,9H,4,7-8,13H2,1-3H3
InChIKeyYNTLZLBNNJFDDN-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.23
Rot. Bonds6

About 4-amino-N-(2-ethoxyethyl)-N,2-dimethylbenzenesulfonamide

4-amino-N-(2-ethoxyethyl)-N,2-dimethylbenzenesulfonamide (PubChem CID 81053199) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 4-amino-N-(2-ethoxyethyl)-N,2-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(2-ethoxyethyl)-N,2-dimethylbenzenesulfonamide
PubChem CID81053199
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name4-amino-N-(2-ethoxyethyl)-N,2-dimethylbenzenesulfonamide
SMILESCCOCCN(C)S(=O)(=O)c1ccc(N)cc1C
InChIInChI=1S/C12H20N2O3S/c1-4-17-8-7-14(3)18(15,16)12-6-5-11(13)9-10(12)2/h5-6,9H,4,7-8,13H2,1-3H3
InChIKeyYNTLZLBNNJFDDN-UHFFFAOYSA-N
XLogP1.23
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N,2-dimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 81053045
4-amino-N-butyl-N,2-dimethylbenzenesulfonamide
CID 43258018
2-amino-N-(2-ethoxyethyl)-N,4,5-trimethylbenzenesulfonamide
CID 81053826
4-amino-N-(2-hydroxyethyl)-N,2-dimethylbenzenesulfonamide
CID 43258909
5-amino-N-(2-ethoxyethyl)-N-methyl-2-nitrobenzenesulfonamide
CID 81061940
4-amino-N,2-dimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 112656554
6-amino-N-(2-ethoxyethyl)-N-methyl-1H-indole-3-sulfonamide
CID 81053511
2-amino-4-chloro-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide
CID 81053351
4-(2-ethoxyethylsulfonyl)-3-methylaniline
CID 81192495
2-bromo-N-(2-ethoxyethyl)-N,4-dimethylbenzenesulfonamide
CID 81062273
2,4-dibromo-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide
CID 81062460
5-amino-N-(2-ethoxyethyl)-2,4-difluoro-N-methylbenzenesulfonamide
CID 81052882

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-ethoxyethyl)-N,2-dimethylbenzenesulfonamide?
The IUPAC name of 4-amino-N-(2-ethoxyethyl)-N,2-dimethylbenzenesulfonamide (CID 81053199) is 4-amino-N-(2-ethoxyethyl)-N,2-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(2-ethoxyethyl)-N,2-dimethylbenzenesulfonamide?
The canonical SMILES for 4-amino-N-(2-ethoxyethyl)-N,2-dimethylbenzenesulfonamide is CCOCCN(C)S(=O)(=O)c1ccc(N)cc1C.
What is the InChIKey of 4-amino-N-(2-ethoxyethyl)-N,2-dimethylbenzenesulfonamide?
The InChIKey is YNTLZLBNNJFDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-4-17-8-7-14(3)18(15,16)12-6-5-11(13)9-10(12)2/h5-6,9H,4,7-8,13H2,1-3H3.
What are the key properties of 4-amino-N-(2-ethoxyethyl)-N,2-dimethylbenzenesulfonamide?
4-amino-N-(2-ethoxyethyl)-N,2-dimethylbenzenesulfonamide has a molecular weight of 272.37 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-ethoxyethyl)-N,2-dimethylbenzenesulfonamide is sourced from PubChem (CID 81053199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).