N-[2-[2-[3-(benzenesulfonyl)propoxy]ethoxy]ethyl]benzenesulfonamide

C19H25NO6S2 — CID 123703958

IUPACN-[2-[2-[3-(benzenesulfonyl)propoxy]ethoxy]ethyl]benzenesulfonamide
SMILESO=S(=O)(CCCOCCOCCNS(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H25NO6S2/c21-27(22,18-8-3-1-4-9-18)17-7-13-25-15-16-26-14-12-20-28(23,24)19-10-5-2-6-11-19/h1-6,8-11,20H,7,12-17H2
InChIKeyALOOIFPSFWTALS-UHFFFAOYSA-N
MW427.54 g/mol
LogP1.86
Rot. Bonds13

About N-[2-[2-[3-(benzenesulfonyl)propoxy]ethoxy]ethyl]benzenesulfonamide

N-[2-[2-[3-(benzenesulfonyl)propoxy]ethoxy]ethyl]benzenesulfonamide (PubChem CID 123703958) has the molecular formula C19H25NO6S2 and a molecular weight of 427.54 g/mol. Its IUPAC name is N-[2-[2-[3-(benzenesulfonyl)propoxy]ethoxy]ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[2-[3-(benzenesulfonyl)propoxy]ethoxy]ethyl]benzenesulfonamide
PubChem CID123703958
Molecular FormulaC19H25NO6S2
Molecular Weight427.54 g/mol
Exact Mass427.11
IUPAC NameN-[2-[2-[3-(benzenesulfonyl)propoxy]ethoxy]ethyl]benzenesulfonamide
SMILESO=S(=O)(CCCOCCOCCNS(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H25NO6S2/c21-27(22,18-8-3-1-4-9-18)17-7-13-25-15-16-26-14-12-20-28(23,24)19-10-5-2-6-11-19/h1-6,8-11,20H,7,12-17H2
InChIKeyALOOIFPSFWTALS-UHFFFAOYSA-N
XLogP1.86
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.54
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[4-[4-(benzenesulfonyl)butoxy]butoxy]propyl]benzenesulfonamide
CID 123390422
N-[2-(2-aminoethoxy)ethyl]benzenesulfonamide
CID 63766574
N-[2-[2-(dimethylamino)ethoxy]ethyl]benzenesulfonamide
CID 104538372
1-[2-[2-[2-(benzenesulfonamido)ethoxy]ethoxy]ethyl]-3-methylurea
CID 160918507
2-[2-(benzenesulfonamido)ethoxy]acetamide
CID 103766575
N-[2-(4-fluorophenyl)sulfonylethyl]benzenesulfonamide
CID 54774356
N-(2-cyclopentyloxyethyl)benzenesulfonamide
CID 61060137
N-(benzenesulfonylmethyl)benzenesulfonamide
CID 23452744
N-[2-[2-(benzenesulfonamido)ethylamino]ethyl]benzenesulfonamide
CID 58729757
N-(2-methylsulfonylethyl)benzenesulfonamide
CID 63090699
3-(benzenesulfonyl)propyl 3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanoate
CID 55821584
3-[2-(2-hydroxyethoxy)ethylsulfamoyl]benzoic acid
CID 62499277

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[3-(benzenesulfonyl)propoxy]ethoxy]ethyl]benzenesulfonamide?
The IUPAC name of N-[2-[2-[3-(benzenesulfonyl)propoxy]ethoxy]ethyl]benzenesulfonamide (CID 123703958) is N-[2-[2-[3-(benzenesulfonyl)propoxy]ethoxy]ethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-[2-[3-(benzenesulfonyl)propoxy]ethoxy]ethyl]benzenesulfonamide?
The canonical SMILES for N-[2-[2-[3-(benzenesulfonyl)propoxy]ethoxy]ethyl]benzenesulfonamide is O=S(=O)(CCCOCCOCCNS(=O)(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-[2-[3-(benzenesulfonyl)propoxy]ethoxy]ethyl]benzenesulfonamide?
The InChIKey is ALOOIFPSFWTALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO6S2/c21-27(22,18-8-3-1-4-9-18)17-7-13-25-15-16-26-14-12-20-28(23,24)19-10-5-2-6-11-19/h1-6,8-11,20H,7,12-17H2.
What are the key properties of N-[2-[2-[3-(benzenesulfonyl)propoxy]ethoxy]ethyl]benzenesulfonamide?
N-[2-[2-[3-(benzenesulfonyl)propoxy]ethoxy]ethyl]benzenesulfonamide has a molecular weight of 427.54 g/mol, XLogP of 1.86, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[3-(benzenesulfonyl)propoxy]ethoxy]ethyl]benzenesulfonamide is sourced from PubChem (CID 123703958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).