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'}

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Related Compounds

N-[(5-amino-2-ethoxyphenyl)methyl]-N-methyloxan-4-amine
CID 43610736
5-amino-2-ethoxy-N-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 61436327
5-amino-N-(cyclobutylmethyl)-2-ethoxy-N-methylbenzenesulfonamide
CID 62856750
5-amino-2-ethyl-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82741698
5-bromo-N-cyclohexyl-2-ethoxy-N-methylbenzenesulfonamide
CID 2428075
5-amino-2-ethoxy-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 61428184
5-bromo-2-ethoxy-N-methyl-N-piperidin-4-ylbenzenesulfonamide
CID 43606983
5-amino-2-ethoxy-N-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 61428651
5-amino-N-cyclopentyl-2-ethyl-N-methylbenzenesulfonamide
CID 43266863
5-amino-2-ethoxy-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 54879827
3-amino-4-methoxy-N-methyl-N-(oxan-4-yl)benzenesulfonamide
CID 43610677
5-amino-2-chloro-N-(1-ethylpiperidin-4-yl)-N-methylbenzenesulfonamide
CID 43576335

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).