5-amino-2-(2-methoxyethoxy)-N-methylbenzenesulfonamide

C10H16N2O4S — CID 103287723

IUPAC5-amino-2-(2-methoxyethoxy)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N)ccc1OCCOC
InChIInChI=1S/C10H16N2O4S/c1-12-17(13,14)10-7-8(11)3-4-9(10)16-6-5-15-2/h3-4,7,12H,5-6,11H2,1-2H3
InChIKeyIRVVAWVLOOBZFK-UHFFFAOYSA-N
MW260.31 g/mol
LogP0.20
Rot. Bonds6

About 5-amino-2-(2-methoxyethoxy)-N-methylbenzenesulfonamide

5-amino-2-(2-methoxyethoxy)-N-methylbenzenesulfonamide (PubChem CID 103287723) has the molecular formula C10H16N2O4S and a molecular weight of 260.31 g/mol. Its IUPAC name is 5-amino-2-(2-methoxyethoxy)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-(2-methoxyethoxy)-N-methylbenzenesulfonamide
PubChem CID103287723
Molecular FormulaC10H16N2O4S
Molecular Weight260.31 g/mol
Exact Mass260.08
IUPAC Name5-amino-2-(2-methoxyethoxy)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N)ccc1OCCOC
InChIInChI=1S/C10H16N2O4S/c1-12-17(13,14)10-7-8(11)3-4-9(10)16-6-5-15-2/h3-4,7,12H,5-6,11H2,1-2H3
InChIKeyIRVVAWVLOOBZFK-UHFFFAOYSA-N
XLogP0.20
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

5-amino-2-[2-(2-methoxyethoxy)ethoxy]benzenesulfonamide
CID 104560023
5-amino-N-methyl-2-(2-pyrrolidin-1-ylethoxy)benzenesulfonamide
CID 103287799
3-amino-4-[2-(2-methoxyethoxy)ethoxy]-N-methylbenzenesulfonamide
CID 104559947
5-amino-N-methyl-2-(thiophen-2-ylmethoxy)benzenesulfonamide
CID 103287806
5-amino-2-butan-2-yloxy-N-methylbenzenesulfonamide
CID 103287793
5-amino-N-methyl-2-(3-methylbutan-2-yloxy)benzenesulfonamide
CID 103287848
5-amino-N-(5-tert-butyl-4-hexadecyl-2-hydroxyphenyl)-2-(2-methoxyethoxy)benzenesulfonamide
CID 20535003
3-amino-4-(3-methoxypropoxy)-N-methylbenzenesulfonamide
CID 54936668
N-[5-chloro-2-(2-methoxyethoxy)phenyl]sulfonylacetamide
CID 167798625
5-fluoro-2-(2-methoxyethoxy)-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120708720
2-[5-amino-2-(2-methoxyethoxy)anilino]ethanol
CID 57176639
5-(hydrazinecarbonyl)-2-methoxy-N-methylbenzenesulfonamide
CID 45373547

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2-methoxyethoxy)-N-methylbenzenesulfonamide?
The IUPAC name of 5-amino-2-(2-methoxyethoxy)-N-methylbenzenesulfonamide (CID 103287723) is 5-amino-2-(2-methoxyethoxy)-N-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-2-(2-methoxyethoxy)-N-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-2-(2-methoxyethoxy)-N-methylbenzenesulfonamide is CNS(=O)(=O)c1cc(N)ccc1OCCOC.
What is the InChIKey of 5-amino-2-(2-methoxyethoxy)-N-methylbenzenesulfonamide?
The InChIKey is IRVVAWVLOOBZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4S/c1-12-17(13,14)10-7-8(11)3-4-9(10)16-6-5-15-2/h3-4,7,12H,5-6,11H2,1-2H3.
What are the key properties of 5-amino-2-(2-methoxyethoxy)-N-methylbenzenesulfonamide?
5-amino-2-(2-methoxyethoxy)-N-methylbenzenesulfonamide has a molecular weight of 260.31 g/mol, XLogP of 0.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2-methoxyethoxy)-N-methylbenzenesulfonamide is sourced from PubChem (CID 103287723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).