N-[3-[4-[4-(benzenesulfonyl)butoxy]butoxy]propyl]benzenesulfonamide

C23H33NO6S2 — CID 123390422

IUPACN-[3-[4-[4-(benzenesulfonyl)butoxy]butoxy]propyl]benzenesulfonamide
SMILESO=S(=O)(CCCCOCCCCOCCCNS(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H33NO6S2/c25-31(26,22-12-3-1-4-13-22)21-10-9-19-29-17-7-8-18-30-20-11-16-24-32(27,28)23-14-5-2-6-15-23/h1-6,12-15,24H,7-11,16-21H2
InChIKeyFPHJWYFWBGEJJS-UHFFFAOYSA-N
MW483.65 g/mol
LogP3.42
Rot. Bonds17

About N-[3-[4-[4-(benzenesulfonyl)butoxy]butoxy]propyl]benzenesulfonamide

N-[3-[4-[4-(benzenesulfonyl)butoxy]butoxy]propyl]benzenesulfonamide (PubChem CID 123390422) has the molecular formula C23H33NO6S2 and a molecular weight of 483.65 g/mol. Its IUPAC name is N-[3-[4-[4-(benzenesulfonyl)butoxy]butoxy]propyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-[4-[4-(benzenesulfonyl)butoxy]butoxy]propyl]benzenesulfonamide
PubChem CID123390422
Molecular FormulaC23H33NO6S2
Molecular Weight483.65 g/mol
Exact Mass483.17
IUPAC NameN-[3-[4-[4-(benzenesulfonyl)butoxy]butoxy]propyl]benzenesulfonamide
SMILESO=S(=O)(CCCCOCCCCOCCCNS(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H33NO6S2/c25-31(26,22-12-3-1-4-13-22)21-10-9-19-29-17-7-8-18-30-20-11-16-24-32(27,28)23-14-5-2-6-15-23/h1-6,12-15,24H,7-11,16-21H2
InChIKeyFPHJWYFWBGEJJS-UHFFFAOYSA-N
XLogP3.42
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.65
LogP ≤ 53.42
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-[2-[2-[3-(benzenesulfonyl)propoxy]ethoxy]ethyl]benzenesulfonamide
CID 123703958
N-[2-(2-aminoethoxy)ethyl]benzenesulfonamide
CID 63766574
N-[2-[2-(dimethylamino)ethoxy]ethyl]benzenesulfonamide
CID 104538372
N-[2-(4-fluorophenyl)sulfonylethyl]benzenesulfonamide
CID 54774356
N-[3-(4-fluorophenoxy)propyl]benzenesulfonamide
CID 110288244
3-[3-(2-hydroxyethoxy)propylsulfamoyl]benzoic acid
CID 106305240
N-(4-iodobutyl)benzenesulfonamide
CID 106846581
N-(4-bromobutyl)benzenesulfonamide
CID 106846700
N-(2-cyclopentyloxyethyl)benzenesulfonamide
CID 61060137
2-[2-(benzenesulfonamido)ethoxy]acetamide
CID 103766575
N-tridecylbenzenesulfonamide
CID 3514704
N-(benzenesulfonylmethyl)benzenesulfonamide
CID 23452744

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[4-(benzenesulfonyl)butoxy]butoxy]propyl]benzenesulfonamide?
The IUPAC name of N-[3-[4-[4-(benzenesulfonyl)butoxy]butoxy]propyl]benzenesulfonamide (CID 123390422) is N-[3-[4-[4-(benzenesulfonyl)butoxy]butoxy]propyl]benzenesulfonamide.
What is the SMILES notation for N-[3-[4-[4-(benzenesulfonyl)butoxy]butoxy]propyl]benzenesulfonamide?
The canonical SMILES for N-[3-[4-[4-(benzenesulfonyl)butoxy]butoxy]propyl]benzenesulfonamide is O=S(=O)(CCCCOCCCCOCCCNS(=O)(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[3-[4-[4-(benzenesulfonyl)butoxy]butoxy]propyl]benzenesulfonamide?
The InChIKey is FPHJWYFWBGEJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO6S2/c25-31(26,22-12-3-1-4-13-22)21-10-9-19-29-17-7-8-18-30-20-11-16-24-32(27,28)23-14-5-2-6-15-23/h1-6,12-15,24H,7-11,16-21H2.
What are the key properties of N-[3-[4-[4-(benzenesulfonyl)butoxy]butoxy]propyl]benzenesulfonamide?
N-[3-[4-[4-(benzenesulfonyl)butoxy]butoxy]propyl]benzenesulfonamide has a molecular weight of 483.65 g/mol, XLogP of 3.42, 17 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[4-(benzenesulfonyl)butoxy]butoxy]propyl]benzenesulfonamide is sourced from PubChem (CID 123390422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).