N-butyl-3,4-diethoxybenzenesulfonamide

C14H23NO4S — CID 40747179

IUPACN-butyl-3,4-diethoxybenzenesulfonamide
SMILESCCCCNS(=O)(=O)c1ccc(OCC)c(OCC)c1
InChIInChI=1S/C14H23NO4S/c1-4-7-10-15-20(16,17)12-8-9-13(18-5-2)14(11-12)19-6-3/h8-9,11,15H,4-7,10H2,1-3H3
InChIKeyHGXAKFWYQHOWEM-UHFFFAOYSA-N
MW301.41 g/mol
LogP2.56
Rot. Bonds9

About N-butyl-3,4-diethoxybenzenesulfonamide

N-butyl-3,4-diethoxybenzenesulfonamide (PubChem CID 40747179) has the molecular formula C14H23NO4S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-butyl-3,4-diethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-butyl-3,4-diethoxybenzenesulfonamide
PubChem CID40747179
Molecular FormulaC14H23NO4S
Molecular Weight301.41 g/mol
Exact Mass301.13
IUPAC NameN-butyl-3,4-diethoxybenzenesulfonamide
SMILESCCCCNS(=O)(=O)c1ccc(OCC)c(OCC)c1
InChIInChI=1S/C14H23NO4S/c1-4-7-10-15-20(16,17)12-8-9-13(18-5-2)14(11-12)19-6-3/h8-9,11,15H,4-7,10H2,1-3H3
InChIKeyHGXAKFWYQHOWEM-UHFFFAOYSA-N
XLogP2.56
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 52.56
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

N-(3-aminopropyl)-3,4-diethoxybenzenesulfonamide;hydrochloride
CID 119962102
3,4-diethoxy-N-(3-ethoxypropyl)benzenesulfonamide
CID 9173625
3,4-diethoxy-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzenesulfonamide
CID 8843325
N-(3-aminobutyl)-3,4-diethoxybenzenesulfonamide;hydrochloride
CID 119972505
3,4-diethoxy-N-(3-hydroxybutyl)benzenesulfonamide
CID 64912288
2-ethoxy-5-(pentylsulfamoyl)benzoic acid
CID 43327811
4-bromo-3-ethoxy-N-propylbenzenesulfonamide
CID 6473509
5-amino-N-butyl-2-ethoxybenzenesulfonamide
CID 43662916
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-cyano-4-ethoxy-N-propylbenzenesulfonamide
CID 171134169

Frequently Asked Questions

What is the IUPAC name of N-butyl-3,4-diethoxybenzenesulfonamide?
The IUPAC name of N-butyl-3,4-diethoxybenzenesulfonamide (CID 40747179) is N-butyl-3,4-diethoxybenzenesulfonamide.
What is the SMILES notation for N-butyl-3,4-diethoxybenzenesulfonamide?
The canonical SMILES for N-butyl-3,4-diethoxybenzenesulfonamide is CCCCNS(=O)(=O)c1ccc(OCC)c(OCC)c1.
What is the InChIKey of N-butyl-3,4-diethoxybenzenesulfonamide?
The InChIKey is HGXAKFWYQHOWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4S/c1-4-7-10-15-20(16,17)12-8-9-13(18-5-2)14(11-12)19-6-3/h8-9,11,15H,4-7,10H2,1-3H3.
What are the key properties of N-butyl-3,4-diethoxybenzenesulfonamide?
N-butyl-3,4-diethoxybenzenesulfonamide has a molecular weight of 301.41 g/mol, XLogP of 2.56, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3,4-diethoxybenzenesulfonamide is sourced from PubChem (CID 40747179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).