4-butyl-N-[3-(dimethylamino)propyl]benzenesulfonamide

C15H26N2O2S — CID 19681719

IUPAC4-butyl-N-[3-(dimethylamino)propyl]benzenesulfonamide
SMILESCCCCc1ccc(S(=O)(=O)NCCCN(C)C)cc1
InChIInChI=1S/C15H26N2O2S/c1-4-5-7-14-8-10-15(11-9-14)20(18,19)16-12-6-13-17(2)3/h8-11,16H,4-7,12-13H2,1-3H3
InChIKeyMGCFUMUFFDDQMZ-UHFFFAOYSA-N
MW298.45 g/mol
LogP2.26
Rot. Bonds9

About 4-butyl-N-[3-(dimethylamino)propyl]benzenesulfonamide

4-butyl-N-[3-(dimethylamino)propyl]benzenesulfonamide (PubChem CID 19681719) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is 4-butyl-N-[3-(dimethylamino)propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-butyl-N-[3-(dimethylamino)propyl]benzenesulfonamide
PubChem CID19681719
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC Name4-butyl-N-[3-(dimethylamino)propyl]benzenesulfonamide
SMILESCCCCc1ccc(S(=O)(=O)NCCCN(C)C)cc1
InChIInChI=1S/C15H26N2O2S/c1-4-5-7-14-8-10-15(11-9-14)20(18,19)16-12-6-13-17(2)3/h8-11,16H,4-7,12-13H2,1-3H3
InChIKeyMGCFUMUFFDDQMZ-UHFFFAOYSA-N
XLogP2.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)ethyl]-4-(3-hydroxypropyl)benzenesulfonamide
CID 39387794
4-(3-aminopropyl)-N-butylbenzenesulfonamide
CID 28807103
N-[3-(dimethylamino)propyl]-4-ethoxybenzenesulfonamide
CID 4790143
4-butyl-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide
CID 3695989
4-butyl-N-prop-2-enylbenzenesulfonamide
CID 6470991
N-[3-[4-(dimethylamino)phenyl]propyl]-4-ethylbenzenesulfonamide
CID 16890812
4-[(cyclopropylamino)methyl]-N-[3-(dimethylamino)propyl]benzenesulfonamide
CID 60821977
N-(3-butoxypropyl)-4-hexylbenzenesulfonamide
CID 84556936
N-(3-aminopropyl)-4-propylbenzenesulfonamide
CID 43605819
2-[2-[4-[(4-butylphenyl)sulfonylamino]phenyl]hydrazinyl]-N-[3-(dimethylamino)propyl]-2-oxoacetamide
CID 20725379
4-ethyl-N-hexylbenzenesulfonamide
CID 19681236
4-[3-(dimethylamino)propylsulfamoyl]-N-(4-ethylphenyl)benzamide
CID 109060317

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[3-(dimethylamino)propyl]benzenesulfonamide?
The IUPAC name of 4-butyl-N-[3-(dimethylamino)propyl]benzenesulfonamide (CID 19681719) is 4-butyl-N-[3-(dimethylamino)propyl]benzenesulfonamide.
What is the SMILES notation for 4-butyl-N-[3-(dimethylamino)propyl]benzenesulfonamide?
The canonical SMILES for 4-butyl-N-[3-(dimethylamino)propyl]benzenesulfonamide is CCCCc1ccc(S(=O)(=O)NCCCN(C)C)cc1.
What is the InChIKey of 4-butyl-N-[3-(dimethylamino)propyl]benzenesulfonamide?
The InChIKey is MGCFUMUFFDDQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-4-5-7-14-8-10-15(11-9-14)20(18,19)16-12-6-13-17(2)3/h8-11,16H,4-7,12-13H2,1-3H3.
What are the key properties of 4-butyl-N-[3-(dimethylamino)propyl]benzenesulfonamide?
4-butyl-N-[3-(dimethylamino)propyl]benzenesulfonamide has a molecular weight of 298.45 g/mol, XLogP of 2.26, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[3-(dimethylamino)propyl]benzenesulfonamide is sourced from PubChem (CID 19681719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).