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

C15H25NO4S — CID 66486044

IUPAC2-ethoxy-N-(3-ethoxypropyl)-4,5-dimethylbenzenesulfonamide
SMILESCCOCCCNS(=O)(=O)c1cc(C)c(C)cc1OCC
InChIInChI=1S/C15H25NO4S/c1-5-19-9-7-8-16-21(17,18)15-11-13(4)12(3)10-14(15)20-6-2/h10-11,16H,5-9H2,1-4H3
InChIKeyYBRUZKDBRTVYES-UHFFFAOYSA-N
MW315.44 g/mol
LogP2.41
Rot. Bonds9

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

2-ethoxy-N-(3-ethoxypropyl)-4,5-dimethylbenzenesulfonamide (PubChem CID 66486044) has the molecular formula C15H25NO4S and a molecular weight of 315.44 g/mol. Its IUPAC name is 2-ethoxy-N-(3-ethoxypropyl)-4,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-ethoxy-N-(3-ethoxypropyl)-4,5-dimethylbenzenesulfonamide
PubChem CID66486044
Molecular FormulaC15H25NO4S
Molecular Weight315.44 g/mol
Exact Mass315.15
IUPAC Name2-ethoxy-N-(3-ethoxypropyl)-4,5-dimethylbenzenesulfonamide
SMILESCCOCCCNS(=O)(=O)c1cc(C)c(C)cc1OCC
InChIInChI=1S/C15H25NO4S/c1-5-19-9-7-8-16-21(17,18)15-11-13(4)12(3)10-14(15)20-6-2/h10-11,16H,5-9H2,1-4H3
InChIKeyYBRUZKDBRTVYES-UHFFFAOYSA-N
XLogP2.41
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(3-ethoxypropyl)-2,3-dimethylbenzenesulfonamide
CID 28519081
3,4-diethoxy-N-(3-ethoxypropyl)benzenesulfonamide
CID 9173625
N-(3-ethoxypropyl)-2-methoxybenzenesulfonamide
CID 47104251
2-amino-4,5-dimethyl-N-(3-propoxypropyl)benzenesulfonamide
CID 82949556
N-(3-ethoxypropyl)-1,3-dimethylpyrazole-4-sulfonamide
CID 42282214
N-[2-(3,5-dimethylphenoxy)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 30365956
N-(3-ethoxypropyl)-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide
CID 114133466
5-ethoxy-N-(3-hydroxypropyl)-2,4-dimethylbenzenesulfonamide
CID 50876879
4-(3-ethoxypropylsulfamoyl)-5-methylfuran-2-carboxylic acid
CID 62803424
N-(3-aminopropyl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 28754094
2,4-dichloro-5-methyl-N-(3-propoxypropyl)benzenesulfonamide
CID 3830031
N-[4-(diethylamino)butyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 110440475

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(3-ethoxypropyl)-4,5-dimethylbenzenesulfonamide?
The IUPAC name of 2-ethoxy-N-(3-ethoxypropyl)-4,5-dimethylbenzenesulfonamide (CID 66486044) is 2-ethoxy-N-(3-ethoxypropyl)-4,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-ethoxy-N-(3-ethoxypropyl)-4,5-dimethylbenzenesulfonamide?
The canonical SMILES for 2-ethoxy-N-(3-ethoxypropyl)-4,5-dimethylbenzenesulfonamide is CCOCCCNS(=O)(=O)c1cc(C)c(C)cc1OCC.
What is the InChIKey of 2-ethoxy-N-(3-ethoxypropyl)-4,5-dimethylbenzenesulfonamide?
The InChIKey is YBRUZKDBRTVYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4S/c1-5-19-9-7-8-16-21(17,18)15-11-13(4)12(3)10-14(15)20-6-2/h10-11,16H,5-9H2,1-4H3.
What are the key properties of 2-ethoxy-N-(3-ethoxypropyl)-4,5-dimethylbenzenesulfonamide?
2-ethoxy-N-(3-ethoxypropyl)-4,5-dimethylbenzenesulfonamide has a molecular weight of 315.44 g/mol, XLogP of 2.41, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(3-ethoxypropyl)-4,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 66486044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).