5-amino-2-ethoxy-N-methyl-N-(oxan-4-yl)benzenesulfonamide

C14H22N2O4S — CID 43663017

IUPAC5-amino-2-ethoxy-N-methyl-N-(oxan-4-yl)benzenesulfonamide
SMILESCCOc1ccc(N)cc1S(=O)(=O)N(C)C1CCOCC1
InChIInChI=1S/C14H22N2O4S/c1-3-20-13-5-4-11(15)10-14(13)21(17,18)16(2)12-6-8-19-9-7-12/h4-5,10,12H,3,6-9,15H2,1-2H3
InChIKeyDYHRFKFSWAWBJK-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.47
Rot. Bonds5

About 5-amino-2-ethoxy-N-methyl-N-(oxan-4-yl)benzenesulfonamide

5-amino-2-ethoxy-N-methyl-N-(oxan-4-yl)benzenesulfonamide (PubChem CID 43663017) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 5-amino-2-ethoxy-N-methyl-N-(oxan-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-ethoxy-N-methyl-N-(oxan-4-yl)benzenesulfonamide
PubChem CID43663017
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name5-amino-2-ethoxy-N-methyl-N-(oxan-4-yl)benzenesulfonamide
SMILESCCOc1ccc(N)cc1S(=O)(=O)N(C)C1CCOCC1
InChIInChI=1S/C14H22N2O4S/c1-3-20-13-5-4-11(15)10-14(13)21(17,18)16(2)12-6-8-19-9-7-12/h4-5,10,12H,3,6-9,15H2,1-2H3
InChIKeyDYHRFKFSWAWBJK-UHFFFAOYSA-N
XLogP1.47
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-amino-2-ethoxy-N-methyl-N-(oxan-4-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-ethoxy-N-methyl-N-(oxan-4-yl)benzenesulfonamide?
The IUPAC name of 5-amino-2-ethoxy-N-methyl-N-(oxan-4-yl)benzenesulfonamide (CID 43663017) is 5-amino-2-ethoxy-N-methyl-N-(oxan-4-yl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-ethoxy-N-methyl-N-(oxan-4-yl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-ethoxy-N-methyl-N-(oxan-4-yl)benzenesulfonamide is CCOc1ccc(N)cc1S(=O)(=O)N(C)C1CCOCC1.
What is the InChIKey of 5-amino-2-ethoxy-N-methyl-N-(oxan-4-yl)benzenesulfonamide?
The InChIKey is DYHRFKFSWAWBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-3-20-13-5-4-11(15)10-14(13)21(17,18)16(2)12-6-8-19-9-7-12/h4-5,10,12H,3,6-9,15H2,1-2H3.
What are the key properties of 5-amino-2-ethoxy-N-methyl-N-(oxan-4-yl)benzenesulfonamide?
5-amino-2-ethoxy-N-methyl-N-(oxan-4-yl)benzenesulfonamide has a molecular weight of 314.41 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-ethoxy-N-methyl-N-(oxan-4-yl)benzenesulfonamide is sourced from PubChem (CID 43663017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).