2-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide

C13H22N2O4S — CID 61125699

IUPAC2-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide
SMILESCOCCCN(CCOC)S(=O)(=O)c1ccccc1N
InChIInChI=1S/C13H22N2O4S/c1-18-10-5-8-15(9-11-19-2)20(16,17)13-7-4-3-6-12(13)14/h3-4,6-7H,5,8-11,14H2,1-2H3
InChIKeyXKNJPUHSPXJEIO-UHFFFAOYSA-N
MW302.40 g/mol
LogP0.94
Rot. Bonds9

About 2-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide

2-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide (PubChem CID 61125699) has the molecular formula C13H22N2O4S and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide
PubChem CID61125699
Molecular FormulaC13H22N2O4S
Molecular Weight302.40 g/mol
Exact Mass302.13
IUPAC Name2-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide
SMILESCOCCCN(CCOC)S(=O)(=O)c1ccccc1N
InChIInChI=1S/C13H22N2O4S/c1-18-10-5-8-15(9-11-19-2)20(16,17)13-7-4-3-6-12(13)14/h3-4,6-7H,5,8-11,14H2,1-2H3
InChIKeyXKNJPUHSPXJEIO-UHFFFAOYSA-N
XLogP0.94
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 50.94
H-Bond Donors ≤ 51
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

2-amino-4-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide
CID 61126854
2-amino-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 61125296
2-amino-N,N-dipropylbenzenesulfonamide
CID 16783844
2-bromo-N-(2-bromoethyl)-N-(2-methoxyethyl)benzenesulfonamide
CID 113468348
N,N-bis(2-methoxyethyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 55512150
3-amino-4-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide
CID 61126076
2-amino-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 60980494
2-amino-N,N-bis(2-methoxyethyl)-6-methylbenzenesulfonamide
CID 43587441
2-amino-5-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridine-3-sulfonamide
CID 62157005
methyl 3-[2-methoxyethyl-(2-methylphenyl)sulfonylamino]propanoate
CID 79481278
2-hydroxy-N-(3-methoxypropyl)-N-methylbenzenesulfonamide
CID 81246026
2-amino-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
CID 61116591

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide?
The IUPAC name of 2-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide (CID 61125699) is 2-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide?
The canonical SMILES for 2-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide is COCCCN(CCOC)S(=O)(=O)c1ccccc1N.
What is the InChIKey of 2-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide?
The InChIKey is XKNJPUHSPXJEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4S/c1-18-10-5-8-15(9-11-19-2)20(16,17)13-7-4-3-6-12(13)14/h3-4,6-7H,5,8-11,14H2,1-2H3.
What are the key properties of 2-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide?
2-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide has a molecular weight of 302.40 g/mol, XLogP of 0.94, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide is sourced from PubChem (CID 61125699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).