5-ethoxy-N-(3-hydroxypropyl)-2,4-dimethylbenzenesulfonamide

C13H21NO4S — CID 50876879

IUPAC5-ethoxy-N-(3-hydroxypropyl)-2,4-dimethylbenzenesulfonamide
SMILESCCOc1cc(S(=O)(=O)NCCCO)c(C)cc1C
InChIInChI=1S/C13H21NO4S/c1-4-18-12-9-13(11(3)8-10(12)2)19(16,17)14-6-5-7-15/h8-9,14-15H,4-7H2,1-3H3
InChIKeyMOWWQNXJVBPDLD-UHFFFAOYSA-N
MW287.38 g/mol
LogP1.36
Rot. Bonds7

About 5-ethoxy-N-(3-hydroxypropyl)-2,4-dimethylbenzenesulfonamide

5-ethoxy-N-(3-hydroxypropyl)-2,4-dimethylbenzenesulfonamide (PubChem CID 50876879) has the molecular formula C13H21NO4S and a molecular weight of 287.38 g/mol. Its IUPAC name is 5-ethoxy-N-(3-hydroxypropyl)-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-ethoxy-N-(3-hydroxypropyl)-2,4-dimethylbenzenesulfonamide
PubChem CID50876879
Molecular FormulaC13H21NO4S
Molecular Weight287.38 g/mol
Exact Mass287.12
IUPAC Name5-ethoxy-N-(3-hydroxypropyl)-2,4-dimethylbenzenesulfonamide
SMILESCCOc1cc(S(=O)(=O)NCCCO)c(C)cc1C
InChIInChI=1S/C13H21NO4S/c1-4-18-12-9-13(11(3)8-10(12)2)19(16,17)14-6-5-7-15/h8-9,14-15H,4-7H2,1-3H3
InChIKeyMOWWQNXJVBPDLD-UHFFFAOYSA-N
XLogP1.36
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-N,2,5-trimethylbenzenesulfonamide
CID 66485781
N-butyl-4,5-dimethoxy-2-methylbenzenesulfonamide
CID 35291236
N-[2-[(4-ethoxy-2,5-dimethylphenyl)sulfonylamino]ethyl]benzamide
CID 110292090
5-ethoxy-N-(furan-2-ylmethyl)-2,4-dimethylbenzenesulfonamide
CID 934715
2-ethoxy-N-(3-ethoxypropyl)-4,5-dimethylbenzenesulfonamide
CID 66486044
N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]-4-ethoxy-2,5-dimethylbenzenesulfonamide
CID 110415785
4-ethoxy-2,5-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 110712524
4-ethoxy-2,5-dimethyl-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]benzenesulfonamide
CID 110415643
5-ethoxy-2,4-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 977109
4-cyano-N-(4-hydroxybutyl)-2-methylbenzenesulfonamide
CID 106997450
4-ethoxy-N-(3-hydroxypropyl)benzenesulfonamide
CID 6460242
4-ethoxy-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2,5-dimethylbenzenesulfonamide
CID 110292829

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-N-(3-hydroxypropyl)-2,4-dimethylbenzenesulfonamide?
The IUPAC name of 5-ethoxy-N-(3-hydroxypropyl)-2,4-dimethylbenzenesulfonamide (CID 50876879) is 5-ethoxy-N-(3-hydroxypropyl)-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for 5-ethoxy-N-(3-hydroxypropyl)-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for 5-ethoxy-N-(3-hydroxypropyl)-2,4-dimethylbenzenesulfonamide is CCOc1cc(S(=O)(=O)NCCCO)c(C)cc1C.
What is the InChIKey of 5-ethoxy-N-(3-hydroxypropyl)-2,4-dimethylbenzenesulfonamide?
The InChIKey is MOWWQNXJVBPDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4S/c1-4-18-12-9-13(11(3)8-10(12)2)19(16,17)14-6-5-7-15/h8-9,14-15H,4-7H2,1-3H3.
What are the key properties of 5-ethoxy-N-(3-hydroxypropyl)-2,4-dimethylbenzenesulfonamide?
5-ethoxy-N-(3-hydroxypropyl)-2,4-dimethylbenzenesulfonamide has a molecular weight of 287.38 g/mol, XLogP of 1.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-N-(3-hydroxypropyl)-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 50876879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).