5-amino-2-ethyl-N-methyl-N-(oxolan-3-yl)benzenesulfonamide

C13H20N2O3S — CID 82741698

IUPAC5-amino-2-ethyl-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
SMILESCCc1ccc(N)cc1S(=O)(=O)N(C)C1CCOC1
InChIInChI=1S/C13H20N2O3S/c1-3-10-4-5-11(14)8-13(10)19(16,17)15(2)12-6-7-18-9-12/h4-5,8,12H,3,6-7,9,14H2,1-2H3
InChIKeyHUGJVVNRPIZTKD-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.24
Rot. Bonds4

About 5-amino-2-ethyl-N-methyl-N-(oxolan-3-yl)benzenesulfonamide

5-amino-2-ethyl-N-methyl-N-(oxolan-3-yl)benzenesulfonamide (PubChem CID 82741698) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 5-amino-2-ethyl-N-methyl-N-(oxolan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-ethyl-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
PubChem CID82741698
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name5-amino-2-ethyl-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
SMILESCCc1ccc(N)cc1S(=O)(=O)N(C)C1CCOC1
InChIInChI=1S/C13H20N2O3S/c1-3-10-4-5-11(14)8-13(10)19(16,17)15(2)12-6-7-18-9-12/h4-5,8,12H,3,6-7,9,14H2,1-2H3
InChIKeyHUGJVVNRPIZTKD-UHFFFAOYSA-N
XLogP1.24
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.24
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 5-amino-2-ethyl-N-methyl-N-(oxolan-3-yl)benzenesulfonamide?
The IUPAC name of 5-amino-2-ethyl-N-methyl-N-(oxolan-3-yl)benzenesulfonamide (CID 82741698) is 5-amino-2-ethyl-N-methyl-N-(oxolan-3-yl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-ethyl-N-methyl-N-(oxolan-3-yl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-ethyl-N-methyl-N-(oxolan-3-yl)benzenesulfonamide is CCc1ccc(N)cc1S(=O)(=O)N(C)C1CCOC1.
What is the InChIKey of 5-amino-2-ethyl-N-methyl-N-(oxolan-3-yl)benzenesulfonamide?
The InChIKey is HUGJVVNRPIZTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-3-10-4-5-11(14)8-13(10)19(16,17)15(2)12-6-7-18-9-12/h4-5,8,12H,3,6-7,9,14H2,1-2H3.
What are the key properties of 5-amino-2-ethyl-N-methyl-N-(oxolan-3-yl)benzenesulfonamide?
5-amino-2-ethyl-N-methyl-N-(oxolan-3-yl)benzenesulfonamide has a molecular weight of 284.38 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-ethyl-N-methyl-N-(oxolan-3-yl)benzenesulfonamide is sourced from PubChem (CID 82741698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).