N-(2-ethoxyethyl)-5-(hydroxymethyl)-2-methoxy-N-methylbenzenesulfonamide

C13H21NO5S — CID 81073746

IUPACN-(2-ethoxyethyl)-5-(hydroxymethyl)-2-methoxy-N-methylbenzenesulfonamide
SMILESCCOCCN(C)S(=O)(=O)c1cc(CO)ccc1OC
InChIInChI=1S/C13H21NO5S/c1-4-19-8-7-14(2)20(16,17)13-9-11(10-15)5-6-12(13)18-3/h5-6,9,15H,4,7-8,10H2,1-3H3
InChIKeyJDCYCFZIYBRUGT-UHFFFAOYSA-N
MW303.38 g/mol
LogP0.84
Rot. Bonds8

About N-(2-ethoxyethyl)-5-(hydroxymethyl)-2-methoxy-N-methylbenzenesulfonamide

N-(2-ethoxyethyl)-5-(hydroxymethyl)-2-methoxy-N-methylbenzenesulfonamide (PubChem CID 81073746) has the molecular formula C13H21NO5S and a molecular weight of 303.38 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-5-(hydroxymethyl)-2-methoxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-5-(hydroxymethyl)-2-methoxy-N-methylbenzenesulfonamide
PubChem CID81073746
Molecular FormulaC13H21NO5S
Molecular Weight303.38 g/mol
Exact Mass303.11
IUPAC NameN-(2-ethoxyethyl)-5-(hydroxymethyl)-2-methoxy-N-methylbenzenesulfonamide
SMILESCCOCCN(C)S(=O)(=O)c1cc(CO)ccc1OC
InChIInChI=1S/C13H21NO5S/c1-4-19-8-7-14(2)20(16,17)13-9-11(10-15)5-6-12(13)18-3/h5-6,9,15H,4,7-8,10H2,1-3H3
InChIKeyJDCYCFZIYBRUGT-UHFFFAOYSA-N
XLogP0.84
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethoxyethyl)-2-fluoro-5-(hydroxymethyl)-N-methylbenzenesulfonamide
CID 81074458
5-(hydroxymethyl)-2-methoxybenzenesulfonic acid
CID 87294269
5-(hydroxymethyl)-2-methoxy-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 115988140
2-ethoxyethyl 3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoate
CID 24530085
4-ethoxy-N-(2-ethoxyethyl)-3-(hydroxymethyl)-N-methylbenzenesulfonamide
CID 81063847
5-bromo-N-(2-hydroxyethyl)-2-methoxy-N-methylbenzenesulfonamide
CID 15590963
2-amino-N-(2-ethoxyethyl)-N,4,5-trimethylbenzenesulfonamide
CID 81053826
N-benzyl-5-(hydroxymethyl)-2-methoxy-N-propan-2-ylbenzenesulfonamide
CID 113241762
[3-(2-ethoxyethoxymethyl)-4-methoxyphenyl]methanol
CID 62019338
2,4-dibromo-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide
CID 81062460
N-(5-hydroxypentyl)-2-methoxy-N,5-dimethylbenzenesulfonamide
CID 107203068
2-bromo-N-(2-ethoxyethyl)-N,4-dimethylbenzenesulfonamide
CID 81062273

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-5-(hydroxymethyl)-2-methoxy-N-methylbenzenesulfonamide?
The IUPAC name of N-(2-ethoxyethyl)-5-(hydroxymethyl)-2-methoxy-N-methylbenzenesulfonamide (CID 81073746) is N-(2-ethoxyethyl)-5-(hydroxymethyl)-2-methoxy-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-ethoxyethyl)-5-(hydroxymethyl)-2-methoxy-N-methylbenzenesulfonamide?
The canonical SMILES for N-(2-ethoxyethyl)-5-(hydroxymethyl)-2-methoxy-N-methylbenzenesulfonamide is CCOCCN(C)S(=O)(=O)c1cc(CO)ccc1OC.
What is the InChIKey of N-(2-ethoxyethyl)-5-(hydroxymethyl)-2-methoxy-N-methylbenzenesulfonamide?
The InChIKey is JDCYCFZIYBRUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO5S/c1-4-19-8-7-14(2)20(16,17)13-9-11(10-15)5-6-12(13)18-3/h5-6,9,15H,4,7-8,10H2,1-3H3.
What are the key properties of N-(2-ethoxyethyl)-5-(hydroxymethyl)-2-methoxy-N-methylbenzenesulfonamide?
N-(2-ethoxyethyl)-5-(hydroxymethyl)-2-methoxy-N-methylbenzenesulfonamide has a molecular weight of 303.38 g/mol, XLogP of 0.84, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-5-(hydroxymethyl)-2-methoxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 81073746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).