4-butoxy-N-pentylbenzenesulfonamide

C15H25NO3S — CID 139844176

IUPAC4-butoxy-N-pentylbenzenesulfonamide
SMILESCCCCCNS(=O)(=O)c1ccc(OCCCC)cc1
InChIInChI=1S/C15H25NO3S/c1-3-5-7-12-16-20(17,18)15-10-8-14(9-11-15)19-13-6-4-2/h8-11,16H,3-7,12-13H2,1-2H3
InChIKeyNTKSLZIXEVTAOF-UHFFFAOYSA-N
MW299.44 g/mol
LogP3.33
Rot. Bonds10

About 4-butoxy-N-pentylbenzenesulfonamide

4-butoxy-N-pentylbenzenesulfonamide (PubChem CID 139844176) has the molecular formula C15H25NO3S and a molecular weight of 299.44 g/mol. Its IUPAC name is 4-butoxy-N-pentylbenzenesulfonamide.

Molecular Properties

Compound Name4-butoxy-N-pentylbenzenesulfonamide
PubChem CID139844176
Molecular FormulaC15H25NO3S
Molecular Weight299.44 g/mol
Exact Mass299.16
IUPAC Name4-butoxy-N-pentylbenzenesulfonamide
SMILESCCCCCNS(=O)(=O)c1ccc(OCCCC)cc1
InChIInChI=1S/C15H25NO3S/c1-3-5-7-12-16-20(17,18)15-10-8-14(9-11-15)19-13-6-4-2/h8-11,16H,3-7,12-13H2,1-2H3
InChIKeyNTKSLZIXEVTAOF-UHFFFAOYSA-N
XLogP3.33
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-butoxy-N-pentylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(ethylamino)ethoxy]-N-pentylbenzenesulfonamide
CID 106058279
N-[2-(methylamino)ethyl]-4-pentoxybenzenesulfonamide
CID 119973145
ethyl 4-[(4-butoxyphenyl)sulfonylamino]butanoate
CID 3867578
4-pentoxy-N-prop-2-enylbenzenesulfonamide
CID 43845618
N-[2-(ethylamino)ethyl]-4-propoxybenzenesulfonamide
CID 55100491
4-(2-aminoethoxy)-N-(4-methoxybutyl)benzenesulfonamide
CID 106053962
4-ethyl-N-hexylbenzenesulfonamide
CID 19681236
N-(3-aminopropyl)-4-(2-ethylsulfonylethoxy)benzenesulfonamide;hydrochloride
CID 119962062
4-ethoxy-N-(3-hydroxypropyl)benzenesulfonamide
CID 6460242
N-tridecylbenzenesulfonamide
CID 3514704
4-[3-(methylamino)propoxy]-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 106063766
4-heptoxy-N-[4-(propylsulfamoyl)phenyl]benzamide
CID 4950690

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-pentylbenzenesulfonamide?
The IUPAC name of 4-butoxy-N-pentylbenzenesulfonamide (CID 139844176) is 4-butoxy-N-pentylbenzenesulfonamide.
What is the SMILES notation for 4-butoxy-N-pentylbenzenesulfonamide?
The canonical SMILES for 4-butoxy-N-pentylbenzenesulfonamide is CCCCCNS(=O)(=O)c1ccc(OCCCC)cc1.
What is the InChIKey of 4-butoxy-N-pentylbenzenesulfonamide?
The InChIKey is NTKSLZIXEVTAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3S/c1-3-5-7-12-16-20(17,18)15-10-8-14(9-11-15)19-13-6-4-2/h8-11,16H,3-7,12-13H2,1-2H3.
What are the key properties of 4-butoxy-N-pentylbenzenesulfonamide?
4-butoxy-N-pentylbenzenesulfonamide has a molecular weight of 299.44 g/mol, XLogP of 3.33, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-pentylbenzenesulfonamide is sourced from PubChem (CID 139844176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).