3,4-diethoxy-N-(3-ethoxypropyl)benzenesulfonamide

C15H25NO5S — CID 9173625

IUPAC3,4-diethoxy-N-(3-ethoxypropyl)benzenesulfonamide
SMILESCCOCCCNS(=O)(=O)c1ccc(OCC)c(OCC)c1
InChIInChI=1S/C15H25NO5S/c1-4-19-11-7-10-16-22(17,18)13-8-9-14(20-5-2)15(12-13)21-6-3/h8-9,12,16H,4-7,10-11H2,1-3H3
InChIKeyITVLXQIZFANTCL-UHFFFAOYSA-N
MW331.43 g/mol
LogP2.19
Rot. Bonds11

About 3,4-diethoxy-N-(3-ethoxypropyl)benzenesulfonamide

3,4-diethoxy-N-(3-ethoxypropyl)benzenesulfonamide (PubChem CID 9173625) has the molecular formula C15H25NO5S and a molecular weight of 331.43 g/mol. Its IUPAC name is 3,4-diethoxy-N-(3-ethoxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-diethoxy-N-(3-ethoxypropyl)benzenesulfonamide
PubChem CID9173625
Molecular FormulaC15H25NO5S
Molecular Weight331.43 g/mol
Exact Mass331.15
IUPAC Name3,4-diethoxy-N-(3-ethoxypropyl)benzenesulfonamide
SMILESCCOCCCNS(=O)(=O)c1ccc(OCC)c(OCC)c1
InChIInChI=1S/C15H25NO5S/c1-4-19-11-7-10-16-22(17,18)13-8-9-14(20-5-2)15(12-13)21-6-3/h8-9,12,16H,4-7,10-11H2,1-3H3
InChIKeyITVLXQIZFANTCL-UHFFFAOYSA-N
XLogP2.19
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.43
LogP ≤ 52.19
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-butyl-3,4-diethoxybenzenesulfonamide
CID 40747179
N-(3-aminopropyl)-3,4-diethoxybenzenesulfonamide;hydrochloride
CID 119962102
3,4-diethoxy-N-[4-(3-ethoxypropylsulfamoyl)phenyl]benzamide
CID 2976044
3,4-diethoxy-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzenesulfonamide
CID 8843325
4-chloro-3-ethoxy-N-(3-methoxypropyl)benzenesulfonamide
CID 27245832
3-chloro-4-ethoxy-N-(3-methoxypropyl)benzenesulfonamide
CID 110758135
4-ethoxy-3-fluoro-N-(3-methoxypropyl)benzenesulfonamide
CID 110758038
3,4-diethoxy-N-(3-hydroxybutyl)benzenesulfonamide
CID 64912288
N-(3-aminobutyl)-3,4-diethoxybenzenesulfonamide;hydrochloride
CID 119972505
2-ethoxy-N-(3-ethoxypropyl)-4,5-dimethylbenzenesulfonamide
CID 66486044
6-amino-N-(3-ethoxypropyl)pyridine-3-sulfonamide
CID 62144216
4-(aminomethyl)-N-(3-ethoxypropyl)-3-methylbenzenesulfonamide
CID 106919050

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-(3-ethoxypropyl)benzenesulfonamide?
The IUPAC name of 3,4-diethoxy-N-(3-ethoxypropyl)benzenesulfonamide (CID 9173625) is 3,4-diethoxy-N-(3-ethoxypropyl)benzenesulfonamide.
What is the SMILES notation for 3,4-diethoxy-N-(3-ethoxypropyl)benzenesulfonamide?
The canonical SMILES for 3,4-diethoxy-N-(3-ethoxypropyl)benzenesulfonamide is CCOCCCNS(=O)(=O)c1ccc(OCC)c(OCC)c1.
What is the InChIKey of 3,4-diethoxy-N-(3-ethoxypropyl)benzenesulfonamide?
The InChIKey is ITVLXQIZFANTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO5S/c1-4-19-11-7-10-16-22(17,18)13-8-9-14(20-5-2)15(12-13)21-6-3/h8-9,12,16H,4-7,10-11H2,1-3H3.
What are the key properties of 3,4-diethoxy-N-(3-ethoxypropyl)benzenesulfonamide?
3,4-diethoxy-N-(3-ethoxypropyl)benzenesulfonamide has a molecular weight of 331.43 g/mol, XLogP of 2.19, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-(3-ethoxypropyl)benzenesulfonamide is sourced from PubChem (CID 9173625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).