4-(2-methoxyethoxy)-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide

C14H24N2O4S — CID 62664978

IUPAC4-(2-methoxyethoxy)-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide
SMILESCOCCOc1ccc(S(=O)(=O)NCCNC(C)C)cc1
InChIInChI=1S/C14H24N2O4S/c1-12(2)15-8-9-16-21(17,18)14-6-4-13(5-7-14)20-11-10-19-3/h4-7,12,15-16H,8-11H2,1-3H3
InChIKeyLYJLYXPZAAYLIU-UHFFFAOYSA-N
MW316.42 g/mol
LogP0.99
Rot. Bonds10

About 4-(2-methoxyethoxy)-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide

4-(2-methoxyethoxy)-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide (PubChem CID 62664978) has the molecular formula C14H24N2O4S and a molecular weight of 316.42 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(2-methoxyethoxy)-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide
PubChem CID62664978
Molecular FormulaC14H24N2O4S
Molecular Weight316.42 g/mol
Exact Mass316.15
IUPAC Name4-(2-methoxyethoxy)-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide
SMILESCOCCOc1ccc(S(=O)(=O)NCCNC(C)C)cc1
InChIInChI=1S/C14H24N2O4S/c1-12(2)15-8-9-16-21(17,18)14-6-4-13(5-7-14)20-11-10-19-3/h4-7,12,15-16H,8-11H2,1-3H3
InChIKeyLYJLYXPZAAYLIU-UHFFFAOYSA-N
XLogP0.99
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 62663524
N-(3-hydroxypentyl)-4-(2-methoxyethoxy)benzenesulfonamide
CID 115747265
4-(2-methoxyethoxy)-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
CID 134007687
4-iodo-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 62663707
N-(2-amino-2-methylpropyl)-4-(2-methoxyethoxy)benzenesulfonamide
CID 115303427
N-[2-(3-chlorophenyl)ethyl]-4-(2-methoxyethoxy)benzenesulfonamide
CID 35309914
4-(2-aminoethoxy)-N-(4-methoxybutyl)benzenesulfonamide
CID 106053962
N-tert-butyl-4-(2-methoxyethoxy)benzenesulfonamide
CID 35291114
N-[(3,4-dimethoxyphenyl)methyl]-4-(2-methoxyethoxy)benzenesulfonamide
CID 46595747
N-(2-hydroxy-2-methylbutyl)-4-(2-methoxyethoxy)benzenesulfonamide
CID 65113406
4-(2-methoxyethoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 17353518
4-butoxy-N-pentylbenzenesulfonamide
CID 139844176

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxy)-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide?
The IUPAC name of 4-(2-methoxyethoxy)-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide (CID 62664978) is 4-(2-methoxyethoxy)-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-(2-methoxyethoxy)-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 4-(2-methoxyethoxy)-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide is COCCOc1ccc(S(=O)(=O)NCCNC(C)C)cc1.
What is the InChIKey of 4-(2-methoxyethoxy)-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide?
The InChIKey is LYJLYXPZAAYLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4S/c1-12(2)15-8-9-16-21(17,18)14-6-4-13(5-7-14)20-11-10-19-3/h4-7,12,15-16H,8-11H2,1-3H3.
What are the key properties of 4-(2-methoxyethoxy)-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide?
4-(2-methoxyethoxy)-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide has a molecular weight of 316.42 g/mol, XLogP of 0.99, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 62664978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).