4-ethoxy-N-(2-ethoxyethyl)-3-(hydroxymethyl)-N-methylbenzenesulfonamide

C14H23NO5S — CID 81063847

IUPAC4-ethoxy-N-(2-ethoxyethyl)-3-(hydroxymethyl)-N-methylbenzenesulfonamide
SMILESCCOCCN(C)S(=O)(=O)c1ccc(OCC)c(CO)c1
InChIInChI=1S/C14H23NO5S/c1-4-19-9-8-15(3)21(17,18)13-6-7-14(20-5-2)12(10-13)11-16/h6-7,10,16H,4-5,8-9,11H2,1-3H3
InChIKeySLAUPKBRSXRBQG-UHFFFAOYSA-N
MW317.41 g/mol
LogP1.23
Rot. Bonds9

About 4-ethoxy-N-(2-ethoxyethyl)-3-(hydroxymethyl)-N-methylbenzenesulfonamide

4-ethoxy-N-(2-ethoxyethyl)-3-(hydroxymethyl)-N-methylbenzenesulfonamide (PubChem CID 81063847) has the molecular formula C14H23NO5S and a molecular weight of 317.41 g/mol. Its IUPAC name is 4-ethoxy-N-(2-ethoxyethyl)-3-(hydroxymethyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-(2-ethoxyethyl)-3-(hydroxymethyl)-N-methylbenzenesulfonamide
PubChem CID81063847
Molecular FormulaC14H23NO5S
Molecular Weight317.41 g/mol
Exact Mass317.13
IUPAC Name4-ethoxy-N-(2-ethoxyethyl)-3-(hydroxymethyl)-N-methylbenzenesulfonamide
SMILESCCOCCN(C)S(=O)(=O)c1ccc(OCC)c(CO)c1
InChIInChI=1S/C14H23NO5S/c1-4-19-9-8-15(3)21(17,18)13-6-7-14(20-5-2)12(10-13)11-16/h6-7,10,16H,4-5,8-9,11H2,1-3H3
InChIKeySLAUPKBRSXRBQG-UHFFFAOYSA-N
XLogP1.23
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 51.23
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

3-(aminomethyl)-N-(2-ethoxyethyl)-N,4-dimethylbenzenesulfonamide
CID 81067596
N-(2-ethoxyethyl)-5-(hydroxymethyl)-2-methoxy-N-methylbenzenesulfonamide
CID 81073746
ethyl 2-ethoxy-5-[2-methoxyethyl(methyl)sulfamoyl]benzoate
CID 69465529
4-ethoxy-N-methyl-3-(methylaminomethyl)-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 115988407
N-(2-ethoxyethyl)-5-(hydroxymethyl)-N,1-dimethylpyrrole-3-sulfonamide
CID 81074914
2-[4-[2-ethoxyethyl(methyl)sulfamoyl]phenoxy]acetic acid
CID 81036384
3-(hydroxymethyl)-N,4-dimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 81068355
2-ethoxy-N-[4-ethoxy-3-(hydroxymethyl)phenyl]ethanesulfonamide
CID 63246299
(2-ethoxy-5-nitrophenyl)methanol
CID 28963811
N-butyl-4-ethoxy-3-fluoro-N-methylbenzenesulfonamide
CID 110758081
[2-(3-ethoxypropoxy)-5-nitrophenyl]methanol
CID 65175373
N-butyl-3-chloro-4-ethoxy-N-methylbenzenesulfonamide
CID 110758150

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(2-ethoxyethyl)-3-(hydroxymethyl)-N-methylbenzenesulfonamide?
The IUPAC name of 4-ethoxy-N-(2-ethoxyethyl)-3-(hydroxymethyl)-N-methylbenzenesulfonamide (CID 81063847) is 4-ethoxy-N-(2-ethoxyethyl)-3-(hydroxymethyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-(2-ethoxyethyl)-3-(hydroxymethyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-(2-ethoxyethyl)-3-(hydroxymethyl)-N-methylbenzenesulfonamide is CCOCCN(C)S(=O)(=O)c1ccc(OCC)c(CO)c1.
What is the InChIKey of 4-ethoxy-N-(2-ethoxyethyl)-3-(hydroxymethyl)-N-methylbenzenesulfonamide?
The InChIKey is SLAUPKBRSXRBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO5S/c1-4-19-9-8-15(3)21(17,18)13-6-7-14(20-5-2)12(10-13)11-16/h6-7,10,16H,4-5,8-9,11H2,1-3H3.
What are the key properties of 4-ethoxy-N-(2-ethoxyethyl)-3-(hydroxymethyl)-N-methylbenzenesulfonamide?
4-ethoxy-N-(2-ethoxyethyl)-3-(hydroxymethyl)-N-methylbenzenesulfonamide has a molecular weight of 317.41 g/mol, XLogP of 1.23, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(2-ethoxyethyl)-3-(hydroxymethyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 81063847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).